Water → 5-Chloro-1H-indole-7-carboxylic acid (4-tert-butyl-2-chloro-benzyl)-[2-(3-trifluoromethyl-phenyl)-ethyl]-amide
Reaction equation
[C:45]([CH3:46])([CH3:47])([CH3:48])[c:49]1[cH:50][c:51]([Cl:69])[c:52]([CH2:53][NH:54][CH2:55][CH2:56][c:57]2[cH:58][c:59]([C:63]([F:64])([F:65])[F:66])[cH:60][cH:61][cH:62]2)[cH:67][cH:68]1.[CH3:1][N:2]1[CH2:3][CH2:4][O:5][CH2:6][CH2:7]1.[Cl:32][c:33]1[cH:34][c:35]2[cH:36][cH:37][nH:38][c:39]2[c:40]([C:42](=[O:43])[OH:44])[cH:41]1.[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[OH2:75].[P-:8]([F:9])([F:10])([F:11])([F:12])([F:13])[F:14].[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>>[Cl:32][c:33]1[cH:34][c:35]2[cH:36][cH:37][nH:38][c:39]2[c:40]([C:42](=[O:44])[N:54]([CH2:53][c:52]2[c:51]([Cl:69])[cH:50][c:49]([C:45]([CH3:46])([CH3:47])[CH3:48])[cH:68][cH:67]2)[CH2:55][CH2:56][c:57]2[cH:58][c:59]([C:63]([F:64])([F:65])[F:66])[cH:60][cH:61][cH:62]2)[cH:41]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-af95767c8f3c4070b91a15047e1a344c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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