Water → 4-(3-cyclohexylmethyl-1H-indol-5-yloxy)-3,5-bis-trifluoromethyl-phenylacetonitrile
Reaction equation
[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[CH:1]1([CH2:7][c:8]2[cH:9][nH:10][c:11]3[cH:12][cH:13][c:14]([O:17][c:18]4[c:19]([C:30]([F:31])([F:32])[F:33])[cH:20][c:21]([CH2:22][Br:23])[cH:24][c:25]4[C:26]([F:27])([F:28])[F:29])[cH:15][c:16]23)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Na:34][C:35]#[N:36].[OH2:49]>>[CH:1]1([CH2:7][c:8]2[cH:9][nH:10][c:11]3[cH:12][cH:13][c:14]([O:17][c:18]4[c:19]([C:30]([F:31])([F:32])[F:33])[cH:20][c:21]([CH2:22][C:35]#[N:36])[cH:24][c:25]4[C:26]([F:27])([F:28])[F:29])[cH:15][c:16]23)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1Participants
6
Sources & evidence
- ORD record
- ord-22c837cfd2bc46c989b4eeeb3f3d24ab
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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