Water → 4-(3-Isopropyl-1H-indol-5-yloxy)-3,5-bis-trifluoromethyl-phenylacetonitrile
Reaction equation
[CH3:33][N:34]([CH3:35])[CH:36]=[O:37].[CH:4]([CH3:5])([CH3:6])[c:7]1[cH:8][nH:9][c:10]2[cH:11][cH:12][c:13]([O:16][c:17]3[c:18]([C:29]([F:30])([F:31])[F:32])[cH:19][c:20]([CH2:21][Br:22])[cH:23][c:24]3[C:25]([F:26])([F:27])[F:28])[cH:14][c:15]12.[Na:1][C:2]#[N:3].[OH2:38]>>[C:2](#[N:3])[CH2:21][c:20]1[cH:19][c:18]([C:29]([F:30])([F:31])[F:32])[c:17]([O:16][c:13]2[cH:12][cH:11][c:10]3[nH:9][cH:8][c:7]([CH:4]([CH3:5])[CH3:6])[c:15]3[cH:14]2)[c:24]([C:25]([F:26])([F:27])[F:28])[cH:23]1Participants
5
Sources & evidence
- ORD record
- ord-9b5268772b444219aba11688ec068786
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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