Water → 3-(3',3''-Dibenzyl-4''-hydroxy-2-isobutyl-1,1':4',1''-terphenyl-4-yl)propanenitrile
Reaction equation
[B:1]([Br:2])([Br:3])[Br:4].[CH2:5]([c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[c:12]1[cH:13][c:14](-[c:33]2[c:34]([CH2:43][CH:44]([CH3:45])[CH3:46])[cH:35][c:36]([CH2:39][CH2:40][C:41]#[N:42])[cH:37][cH:38]2)[cH:15][cH:16][c:17]1-[c:18]1[cH:19][c:20]([CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:21]([O:24][CH3:25])[cH:22][cH:23]1.[Cl:48][CH2:49][Cl:50].[OH2:47]>>[CH2:5]([c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[c:12]1[cH:13][c:14](-[c:33]2[c:34]([CH2:43][CH:44]([CH3:45])[CH3:46])[cH:35][c:36]([CH2:39][CH2:40][C:41]#[N:42])[cH:37][cH:38]2)[cH:15][cH:16][c:17]1-[c:18]1[cH:19][c:20]([CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:21]([OH:24])[cH:22][cH:23]1Participants
5
Sources & evidence
- ORD record
- ord-813be26db711456c8ffd1ae030a76611
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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