Benzoic Acid → HCID 57960889, compound
Reaction equation
[B-:30]([F:31])([F:32])([F:33])[F:34].[CH:1]1([c:5]2[n:6][c:7]([C:15]3=[CH:20][CH2:19][NH:18][CH2:17][CH2:16]3)[c:8]3[n:9]2[cH:10][cH:11][n:12][c:13]3[NH2:14])[CH2:2][CH2:3][CH2:4]1.[CH:52]([N:53]([CH2:54][CH3:55])[CH:56]([CH3:57])[CH3:58])([CH3:59])[CH3:60].[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[OH:21][C:22](=[O:23])[c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1.[n:35]1([O:36][C:37]([N:38]([CH3:39])[CH3:40])=[N+:41]([CH3:42])[CH3:43])[c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]1>>[CH:1]1([c:5]2[n:6][c:7]([C:15]3=[CH:20][CH2:19][N:18]([C:22](=[O:21])[c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[CH2:17][CH2:16]3)[c:8]3[n:9]2[cH:10][cH:11][n:12][c:13]3[NH2:14])[CH2:2][CH2:3][CH2:4]1Participants
7
Sources & evidence
- ORD record
- ord-29f04d3f64fe4664861c536e0434d139
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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