Benzoic Acid → HCID 178447119, compound
Reaction equation
[B-:10]([F:11])([F:12])([F:13])[F:14].[CH3:64][N:65]([CH3:66])[CH:67]=[O:68].[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[NH2:41][c:42]1[nH:43][c:44]2[c:45]([cH:46][c:47]3[c:51]([cH:52]2)[N:50]([CH2:53][C:54]([C:55]([CH3:56])([CH3:57])[CH3:58])=[O:59])[C:49](=[O:60])[C:48]3([CH3:61])[CH3:62])[n:63]1.[OH:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1.[n:15]1([O:16][C:17]([N:18]([CH3:19])[CH3:20])=[N+:21]([CH3:22])[CH3:23])[c:24]2[cH:25][cH:26][cH:27][cH:28][c:29]2[n:30][n:31]1>>[C:2](=[O:3])([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[NH:41][c:42]1[nH:43][c:44]2[c:45]([cH:46][c:47]3[c:51]([cH:52]2)[N:50]([CH2:53][C:54]([C:55]([CH3:56])([CH3:57])[CH3:58])=[O:59])[C:49](=[O:60])[C:48]3([CH3:61])[CH3:62])[n:63]1Participants
7
Sources & evidence
- ORD record
- ord-baff8ea5857244d9af9823f662c8d07c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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