4-Cyano-3,5-dimethylbenzoic acid → 4-[2-(2-Chloro-4-methoxy-phenyl)-acetyl]-2,6-dimethyl-benzonitrile

반응식

[C:15](#[N:16])[c:17]1[c:18]([CH3:27])[cH:19][c:20]([C:21]([OH:22])=[O:23])[cH:24][c:25]1[CH3:26].[CH3:1][O:2][C:3]([CH2:4][c:5]1[c:6]([Cl:13])[cH:7][c:8]([O:11][CH3:12])[cH:9][cH:10]1)=[O:14]>>[C:3]([CH2:4][c:5]1[c:6]([Cl:13])[cH:7][c:8]([O:11][CH3:12])[cH:9][cH:10]1)(=[O:14])[c:20]1[cH:19][c:18]([CH3:27])[c:17]([C:15]#[N:16])[c:25]([CH3:26])[cH:24]1

참가 물질

반응물 2

HCID 139978794-Cyano-3,5-dimethylbenzoic acid

HCID 573835072-Chloro-4-methoxyphenylacetic acid methylester

생성물 1

HCID 666971094-[2-(2-Chloro-4-methoxy-phenyl)-acetyl]-2,6-dimethyl-benzonitrile

출처 및 근거

ORD 기록: ord-7efc103c59d14af390de14ea8cc6f8a6
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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