Dichloromethane → 3-(4-Cyano-2-ethyl-6-methylphenyl)propionic acid tert-butyl ester

반응식

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH2:8][c:9]1[c:10]([CH2:19][CH3:20])[cH:11][c:12]([C:16]([NH2:17])=[O:18])[cH:13][c:14]1[CH3:15])=[O:21].[Cl:35][CH2:36][Cl:37].[F:22][C:23]([F:24])([F:25])[C:26]([O:27][C:28](=[O:29])[C:30]([F:31])([F:32])[F:33])=[O:34]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH2:8][c:9]1[c:10]([CH2:19][CH3:20])[cH:11][c:12]([C:16]#[N:17])[cH:13][c:14]1[CH3:15])=[O:21]

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 9845Trifluoroacetic anhydride

HCID 685531653-(4-Carbamoyl-2-ethyl-6-methylphenyl)propionic acid tert-butyl ester

생성물 1

HCID 685503513-(4-Cyano-2-ethyl-6-methylphenyl)propionic acid tert-butyl ester

출처 및 근거

ORD 기록: ord-01e29e6158324c329be9beca07542040
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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