Acetic Acid → [5-(1H-Indol-2-yl)-2-methoxy-phenyl]-(4-hydroxy-3-nitro-benzyl)-amine
Reaction equation
[C:31]([O:32][BH-:33]([O:34][C:35](=[O:36])[CH3:37])[O:38][C:39](=[O:40])[CH3:41])(=[O:42])[CH3:43].[C:45](=[O:46])([OH:47])[O-:48].[CH2:50]([Cl:51])[Cl:52].[CH3:53][C:54](=[O:55])[OH:56].[Na+:44].[Na+:49].[OH:1][c:2]1[c:3]([N+:10](=[O:11])[O-:12])[cH:4][c:5]([CH:6]=[O:7])[cH:8][cH:9]1.[nH:13]1[c:14](-[c:22]2[cH:23][cH:24][c:25]([O:29][CH3:30])[c:26]([NH2:28])[cH:27]2)[cH:15][c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]12>>[OH:1][c:2]1[c:3]([N+:10](=[O:11])[O-:12])[cH:4][c:5]([CH2:6][NH:28][c:26]2[c:25]([O:29][CH3:30])[cH:24][cH:23][c:22](-[c:14]3[nH:13][c:21]4[c:16]([cH:15]3)[cH:17][cH:18][cH:19][cH:20]4)[cH:27]2)[cH:8][cH:9]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-282378d0710e4fe9be060d6ab892445e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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