Water → 2-(2-Chloro-6-cyclopropylmethoxy-4'-trifluoromethyl-biphenyl-4-yl)-4-methyl-pentanoic acid cyclopropylmethyl ester

HRID 281256Notes

Reaction equation

HRID 281256 reaction equation
[CH3:40][CH2:41][O:42][C:43]([CH3:44])=[O:45].[CH3:46][O:47][CH2:48][CH2:49][O:50][CH3:51].[CH:1]1([CH2:4][O:5][C:6]([CH:7]([CH2:8][CH:9]([CH3:10])[CH3:11])[c:12]2[cH:13][c:14]([Cl:24])[c:15]([I:23])[c:16]([O:18][CH2:19][CH:20]3[CH2:21][CH2:22]3)[cH:17]2)=[O:25])[CH2:2][CH2:3]1.[F:26][C:27]([c:28]1[cH:29][cH:30][c:31]([B:34]([OH:35])[OH:36])[cH:32][cH:33]1)([F:37])[F:38].[OH2:39]>>[CH:1]1([CH2:4][O:5][C:6]([CH:7]([CH2:8][CH:9]([CH3:10])[CH3:11])[c:12]2[cH:13][c:14]([Cl:24])[c:15](-[c:31]3[cH:30][cH:29][c:28]([C:27]([F:26])([F:37])[F:38])[cH:33][cH:32]3)[c:16]([O:18][CH2:19][CH:20]3[CH2:21][CH2:22]3)[cH:17]2)=[O:25])[CH2:2][CH2:3]1

Participants

6

Reactant 5

HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 8857Ethyl AcetateHCID 27343894-(Trifluoromethyl)phenylboronic acidHCID 579956062-(3-Chloro-5-cyclopropylmethoxy-4-iodo-phenyl)-4-methyl-pentanoic acid cyclopropylmethyl ester

Product 1

HCID 579956382-(2-Chloro-6-cyclopropylmethoxy-4'-trifluoromethyl-biphenyl-4-yl)-4-methyl-pentanoic acid cyclopropylmethyl ester

Sources & evidence

ORD record
ord-334de2d28bb84be09a1e0e5873b42f86
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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