Toluene → Hexanethioic acid, S-phenyl ester
Reaction equation
[C:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH3:6])(=[O:7])[Cl:8].[C:23]([O:24][CH2:25][CH3:26])(=[O:27])[CH3:28].[CH3:29][CH2:30][CH2:31][CH:32]([CH3:33])[CH3:34].[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[CH3:9][CH2:10][N:11]([CH2:12][CH3:13])[CH2:14][CH3:15].[SH:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1>>[C:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH3:6])(=[O:7])[S:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1Participants
7
Sources & evidence
- ORD record
- ord-39154a3b4f5b475494dc3fd70cd06886
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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