Benzoic Acid → HCID 178467452, compound
Reaction equation
[CH2:17]([CH3:18])[O:19][c:20]1[n:21][c:22]([NH:32][CH3:33])[n:23][c:24]2[cH:25][cH:26][c:27]([CH:30]=[O:31])[cH:28][c:29]12.[CH2:43]1[CH2:44][CH2:45][NH:46][CH2:47][CH2:48]1.[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]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:34][C:35]([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)=[O:42]>>[Cl:1][c:2]1[c:3]([CH2:4][NH:5][C:6]2=[N:10][C:9](=[O:11])[C:8](=[CH:30][c:27]3[cH:26][cH:25][c:24]4[n:23][c:22]([NH:32][CH3:33])[n:21][c:20]([O:19][CH2:17][CH3:18])[c:29]4[cH:28]3)[S:7]2)[c:12]([CH3:16])[cH:13][cH:14][cH:15]1Participants
6
Sources & evidence
- ORD record
- ord-e287a5bd2e9a41d8b37614e485e5e064
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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