Benzoic Acid → HCID 178425041, compound
Reaction equation
[CH2:38]1[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]1.[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[Cl:1][c:2]1[c:3]([CH2:4][NH:5][C:6]2=[N:10][C:9](=[O:11])[CH2:8][S:7]2)[c:12]([CH3:16])[cH:13][cH:14][cH:15]1.[OH:29][C:30]([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)=[O:37].[n:17]1[cH:18][cH:19][cH:20][c:21]2[n:22][c:23]([CH:27]=[O:28])[cH:24][cH:25][c:26]12>>[Cl:1][c:2]1[c:3]([CH2:4][NH:5][C:6]2=[N:10][C:9](=[O:11])[C:8](=[CH:27][c:23]3[n:22][c:21]4[cH:20][cH:19][cH:18][n:17][c:26]4[cH:25][cH:24]3)[S:7]2)[c:12]([CH3:16])[cH:13][cH:14][cH:15]1Participants
6
Sources & evidence
- ORD record
- ord-a5377c27b9c24850bee5bd2c1954f3f4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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