6-Methoxy-m-toluenesulfonyl chloride → 2-chloro-4-{[1-(2-methoxy-5-methyl-benzenesulfonyl)-2,3-dihydro-1H-indole-6-carbonyl]-amino}-benzoic acid methyl ester

반응식

[CH3:35][O:36][c:37]1[cH:38][cH:39][c:40]([CH3:41])[cH:42][c:43]1[S:44]([Cl:45])(=[O:46])=[O:47].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][c:9]([NH:11][C:12](=[O:13])[c:14]2[cH:15][cH:16][c:17]3[c:21]([cH:22]2)[N:20]([S:23](=[O:24])(=[O:25])[c:26]2[c:27]([O:33][CH3:34])[cH:28][cH:29][c:30]([CH3:32])[cH:31]2)[CH2:19][CH2:18]3)[cH:10]1>>[Cl:1][c:2]1[c:3]([C:4]([O:5][CH3:35])=[O:6])[cH:7][cH:8][c:9]([NH:11][C:12](=[O:13])[c:14]2[cH:15][cH:16][c:17]3[c:21]([cH:22]2)[N:20]([S:23](=[O:24])(=[O:25])[c:26]2[c:27]([O:33][CH3:34])[cH:28][cH:29][c:30]([CH3:32])[cH:31]2)[CH2:19][CH2:18]3)[cH:10]1

참가 물질

반응물 2

HCID 1451496-Methoxy-m-toluenesulfonyl chloride

HCID 160514652-Chloro-4-{[1-(2-methoxy-5-methyl-benzenesulfonyl)-2,3-dihydro-1H-indole-6-carbonyl]-amino}-benzoic acid

생성물 1

HCID 686988752-chloro-4-{[1-(2-methoxy-5-methyl-benzenesulfonyl)-2,3-dihydro-1H-indole-6-carbonyl]-amino}-benzoic acid methyl ester

출처 및 근거

ORD 기록: ord-2bbaa0a419a745359d083dbe474437fd
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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