Acetic Acid → Methyl 3-amino-4-(4-chloro-2-methylbutan-2-ylthio)benzoate

반응식

[C:21]([OH:22])(=[O:23])[CH3:24].[Cl:1][CH2:2][CH2:3][C:4]([CH3:5])([CH3:6])[S:7][c:8]1[c:9]([N+:18]([O-:19])=[O:20])[cH:10][c:11]([C:12](=[O:13])[O:14][CH3:15])[cH:16][cH:17]1.[Fe:25]>>[Cl:1][CH2:2][CH2:3][C:4]([CH3:5])([CH3:6])[S:7][c:8]1[c:9]([NH2:18])[cH:10][c:11]([C:12](=[O:13])[O:14][CH3:15])[cH:16][cH:17]1

참가 물질

반응물 3

HCID 176Acetic Acid

HCID 23925Iron

HCID 67242953Methyl 4-(4-chloro-2-methylbutan-2-ylthio)-3-nitrobenzoate

생성물 1

HCID 67242880Methyl 3-amino-4-(4-chloro-2-methylbutan-2-ylthio)benzoate

출처 및 근거

ORD 기록: ord-4ad7c6a6b7cc4f03af5472c57b02a94a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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