Benzoic Acid → HCID 178467451, compound
Reaction equation
[CH2:16]([CH3:17])[O:18][c:19]1[n:20][c:21]([NH:31][CH3:32])[n:22][c:23]2[cH:24][cH:25][c:26]([CH:29]=[O:30])[cH:27][c:28]12.[CH2:42]1[CH2:43][CH2:44][NH:45][CH2:46][CH2:47]1.[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]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)[cH:12][cH:13][cH:14][cH:15]1.[OH:33][C:34]([c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)=[O:41]>>[Cl:1][c:2]1[c:3]([CH2:4][NH:5][C:6]2=[N:10][C:9](=[O:11])[C:8](=[CH:29][c:26]3[cH:25][cH:24][c:23]4[n:22][c:21]([NH:31][CH3:32])[n:20][c:19]([O:18][CH2:16][CH3:17])[c:28]4[cH:27]3)[S:7]2)[cH:12][cH:13][cH:14][cH:15]1Participants
6
Sources & evidence
- ORD record
- ord-ce32fc2d18664690aac376ff4b93f455
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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