Sodium ion → 2-Butyl-5-cyano-4-(1-hydroxy-1-methylpropyl)-1-{4-[2-(trityltetrazol-5-yl)phenyl]phenyl}methylimidazole
Reaction equation
[C:19]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[n:38]1[n:39][n:40][n:41][c:42]1-[c:43]1[c:44](-[c:49]2[cH:50][cH:51][c:52]([CH2:53][Br:54])[cH:55][cH:56]2)[cH:45][cH:46][cH:47][cH:48]1.[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[nH:6][c:7]([C:15]#[N:16])[c:8]([C:10]([CH2:11][CH3:12])([CH3:13])[OH:14])[n:9]1.[H-:17].[Na+:18]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6]([CH2:53][c:52]2[cH:51][cH:50][c:49](-[c:44]3[c:43](-[c:42]4[n:38]([C:19]([c:20]5[cH:21][cH:22][cH:23][cH:24][cH:25]5)([c:26]5[cH:27][cH:28][cH:29][cH:30][cH:31]5)[c:32]5[cH:33][cH:34][cH:35][cH:36][cH:37]5)[n:39][n:40][n:41]4)[cH:48][cH:47][cH:46][cH:45]3)[cH:56][cH:55]2)[c:7]([C:15]#[N:16])[c:8]([C:10]([CH2:11][CH3:12])([CH3:13])[OH:14])[n:9]1Participants
5
Sources & evidence
- ORD record
- ord-bcbde847c8214fcab83d01dbf9d80600
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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