Water → Trifluoro-methanesulfonic acid 3-benzyl-4'-(2-Cyano-ethyl)-2'-isobutyl-biphenyl-4-yl ester

HRID 1234634Notes

Reaction equation

HRID 1234634 reaction equation
[CH2:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[c:23]1[cH:24][c:25](-[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:26][cH:27][c:28]1[OH:29].[F:1][C:2]([F:3])([F:4])[S:5](=[O:6])(=[O:7])[O:8][S:9]([C:10]([F:11])([F:12])[F:13])(=[O:14])=[O:15].[OH2:44].[cH:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1>>[F:1][C:2]([F:3])([F:4])[S:5](=[O:6])(=[O:7])[O:8][c:28]1[c:23]([CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:24][c:25](-[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:26][cH:27]1

Participants

5

Reactant 4

HCID 962WaterHCID 1049PyridineHCID 67749Trifluoromethanesulfonic anhydrideHCID 121347113-(3'-Benzyl-4'-hydroxy-2-isobutyl-1,1'-biphenyl-4-yl)propanenitrile

Product 1

HCID 12134712Trifluoro-methanesulfonic acid 3-benzyl-4'-(2-Cyano-ethyl)-2'-isobutyl-biphenyl-4-yl ester

Sources & evidence

ORD record
ord-2d64db849db34c2fbb1a43257613d526
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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