Acetone → [4-(1-Benzyl-3-pentyl-2-phenyl-1H-indol-5-yl)-phenoxy]-acetonitrile
Reaction equation
[Br:41][CH2:42][C:43]#[N:44].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9](-[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:10]([CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[c:11]2[cH:12][c:13](-[c:17]3[cH:18][cH:19][c:20]([OH:23])[cH:21][cH:22]3)[cH:14][cH:15][c:16]12.[CH3:45][C:46](=[O:47])[CH3:48].[K+:35].[K+:36].[O-:37][C:38]([O-:39])=[O:40]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9](-[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:10]([CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[c:11]2[cH:12][c:13](-[c:17]3[cH:18][cH:19][c:20]([O:23][CH2:42][C:43]#[N:44])[cH:21][cH:22]3)[cH:14][cH:15][c:16]12Participants
6
Sources & evidence
- ORD record
- ord-7f2d990b79204f94ac2d424096adbfc0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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