Water → 3-(3'-Benzyl-4''-hydroxy-2,3''-diisobutyl-1,1':4',1''-terphenyl-4-yl)propanenitrile

HRID 299287

Reaction equation

HRID 299287 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:30]2[c:31]([CH2:40][CH:41]([CH3:42])[CH3:43])[cH:32][c:33]([CH2:36][CH2:37][C:38]#[N:39])[cH:34][cH:35]2)[cH:15][cH:16][c:17]1-[c:18]1[cH:19][c:20]([CH2:26][CH:27]([CH3:28])[CH3:29])[c:21]([O:24][CH3:25])[cH:22][cH:23]1.[Cl:45][CH2:46][Cl:47].[OH2:44]>>[CH2:5]([c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[c:12]1[cH:13][c:14](-[c:30]2[c:31]([CH2:40][CH:41]([CH3:42])[CH3:43])[cH:32][c:33]([CH2:36][CH2:37][C:38]#[N:39])[cH:34][cH:35]2)[cH:15][cH:16][c:17]1-[c:18]1[cH:19][c:20]([CH2:26][CH:27]([CH3:28])[CH3:29])[c:21]([OH:24])[cH:22][cH:23]1

Participants

5

Reactant 4

HCID 962WaterHCID 6344DichloromethaneHCID 25134Boron tribromideHCID 225652423-(3'-Benzyl-2,3''-diisobutyl-4''-methoxy-1,1':4',1''-terphenyl-4-yl)propanenitrile

Product 1

HCID 225652293-(3'-Benzyl-4''-hydroxy-2,3''-diisobutyl-1,1':4',1''-terphenyl-4-yl)propanenitrile

Sources & evidence

ORD record
ord-b6bb50e7fb234e728a7e4ce1d8372f0d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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