N,N-Dimethylethylenediamine → N-(2-chloro-4-(2-(dimethylamino)ethylcarbamoyl)phenyl)-N-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamide

반응식

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

참가 물질

반응물 2

HCID 66053N,N-Dimethylethylenediamine

HCID 668689233-Chloro-4-(N-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamido)benzoic acid

생성물 1

HCID 57900144N-(2-chloro-4-(2-(dimethylamino)ethylcarbamoyl)phenyl)-N-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamide

출처 및 근거

ORD 기록: ord-59cc0eff99ba44c583aec973d9cb8f69
출처 데이터셋: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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