Dichloromethane → 2,3-Dichloro-5-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoic acid

반응식

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

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 1182593,5-Dimethylpiperidine

HCID 205061302,3-Dichloro-5-(chlorosulfonyl)benzoic acid

생성물 1

HCID 205059482,3-Dichloro-5-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoic acid

출처 및 근거

ORD 기록: ord-3064419d29c741a29469050cbcb81ed6
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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