Methanesulfonyl chloride → 2-Chloro-N-[3,5-dichloro-4-(6-methanesulfonylamino-benzothiazol-2-yloxy)-phenyl]-4-trifluoromethyl-benzenesulfonamide

반응식

[CH3:35][S:36]([Cl:37])(=[O:38])=[O:39].[NH2:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]([O:9][c:10]3[c:11]([Cl:32])[cH:12][c:13]([NH:17][S:18](=[O:19])(=[O:20])[c:21]4[c:22]([Cl:31])[cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]4)[cH:14][c:15]3[Cl:16])[s:8]2)[cH:33][cH:34]1>>[NH:1]([c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]([O:9][c:10]3[c:11]([Cl:32])[cH:12][c:13]([NH:17][S:18](=[O:19])(=[O:20])[c:21]4[c:22]([Cl:31])[cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]4)[cH:14][c:15]3[Cl:16])[s:8]2)[cH:33][cH:34]1)[S:36]([CH3:35])(=[O:38])=[O:39]

참가 물질

반응물 2

HCID 31297Methanesulfonyl chloride

HCID 18511529N-[4-(6-Amino-benzothiazol-2-yloxy)-3,5-dichloro-phenyl]-2-chloro-4-trifluoromethyl-benzenesulfonamide

생성물 1

HCID 185115752-Chloro-N-[3,5-dichloro-4-(6-methanesulfonylamino-benzothiazol-2-yloxy)-phenyl]-4-trifluoromethyl-benzenesulfonamide

출처 및 근거

ORD 기록: ord-691ec1aa5fef4345b048a312d299383c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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