Dimethylformamide → 1-(Chloromethyl)-5-(5,5-dimethylcyclopenten-1-yl)-2-fluoro-4-(2-fluoro-5-methoxyphenyl)benzene

HRID 104961Notes

Reaction equation

[CH3:1][C:2]1([CH3:25])[CH2:3][CH2:4][CH:5]=[C:6]1[c:7]1[c:8](-[c:16]2[c:17]([F:24])[cH:18][cH:19][c:20]([O:22][CH3:23])[cH:21]2)[cH:9][c:10]([F:15])[c:11]([CH2:13][OH:14])[cH:12]1.[Cl:30][CH2:31][Cl:32].[O:33]=[CH:34][N:35]([CH3:36])[CH3:37].[S:26]([Cl:27])([Cl:28])=[O:29]>>[CH3:1][C:2]1([CH3:25])[CH2:3][CH2:4][CH:5]=[C:6]1[c:7]1[c:8](-[c:16]2[c:17]([F:24])[cH:18][cH:19][c:20]([O:22][CH3:23])[cH:21]2)[cH:9][c:10]([F:15])[c:11]([CH2:13][Cl:28])[cH:12]1

Participants

Reactant 4

HCID 6228Dimethylformamide

HCID 6344Dichloromethane

HCID 24386Thionyl Chloride

HCID 57705862(2-(5,5-Dimethyl-1-cyclopenten-1-yl)-2',5-difluoro-5'-(methyloxy)-1,1'-biphenyl-4-yl)methanol

Product 1

HCID 577070521-(Chloromethyl)-5-(5,5-dimethylcyclopenten-1-yl)-2-fluoro-4-(2-fluoro-5-methoxyphenyl)benzene

Sources & evidence

ORD record: ord-a90793f14c8647c2a12a80f3bcc6060d
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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