Fixes rdkit#7989 Incorrect benzyl deprotection reaction (rdkit#7990)

e-kwsm · Nov 7, 2024 · 75e8858 · 75e8858
1 parent 649a62a
commit 75e8858
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/Code/GraphMol/Deprotect/Deprotect.cpp b/Code/GraphMol/Deprotect/Deprotect.cpp
@@ -50,8 +50,8 @@ const std::vector<DeprotectData> &getDeprotections() {
        "methoxymethyl_ether", "COCOC>>CO"},
       {"alcohol", "[C;R0][O;R0][C;R0][C;R0][O;R0][C;R0][O;X2:1]>>[O;H1:1]",
        "MEM", "beta-Methoxyethoxymethyl_ether", "C(C)(C)OCOCCOC>>C(C)(C)O"},
-      {"alcohol", "[O;!$(*C(=O)):1]c1[c;H1][c;H1][c;H1][c;H1][c;H1]1>>[O;H1:1]",
-       "Bn", "benzyl", "NOc1ccccc1>>ON"},
+      {"alcohol", "[O;!$(*C(=O)):1][CH2]c1[c;H1][c;H1][c;H1][c;H1][c;H1]1>>[O;H1:1]",
+       "Bn", "benzyl", "NOCc1ccccc1>>ON"},
       {"alcohol", "[O;H0&X2:1][Si]([C;H3])([C;H3])([C;H3])>>[O;H1:1]", "TMS",
        "trimethylsilyl", "NO[Si](C)(C)C>>NO"},
       {"alcohol", "[O;H0:1]C(=O)c1[c;H1][c;H1][c;H1][c;H1][c;H1]1>>[O;H1:1]",