Hydrochloric Acid → N2-(2-chloro-5-(piperazine-1-carbonyl)phenyl)-N2,N8-dimethyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2,8-dicarboxamide

반응식

[CH3:46][CH2:47][O:48][C:49]([CH3:50])=[O:51].[Cl:2][c:3]1[c:4]([N:24]([C:25](=[O:26])[c:27]2[cH:28][c:29]3[c:30]([s:44]2)-[c:31]2[c:32]([cH:36][c:37]([C:40]([NH:41][CH3:42])=[O:43])[cH:38][cH:39]2)[O:33][CH2:34][CH2:35]3)[CH3:45])[cH:5][c:6]([C:7](=[O:8])[N:9]2[CH2:10][CH2:11][N:12]([C:15]([O:16][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:21])[CH2:13][CH2:14]2)[cH:22][cH:23]1.[ClH:1]>>[Cl:2][c:3]1[c:4]([N:24]([C:25](=[O:26])[c:27]2[cH:28][c:29]3[c:30]([s:44]2)-[c:31]2[c:32]([cH:36][c:37]([C:40]([NH:41][CH3:42])=[O:43])[cH:38][cH:39]2)[O:33][CH2:34][CH2:35]3)[CH3:45])[cH:5][c:6]([C:7](=[O:8])[N:9]2[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]2)[cH:22][cH:23]1

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 8857Ethyl Acetate

HCID 58204175HCID 58204175, 화합물

생성물 1

HCID 58204057N2-(2-chloro-5-(piperazine-1-carbonyl)phenyl)-N2,N8-dimethyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2,8-dicarboxamide

출처 및 근거

ORD 기록: ord-6646ef2dde844bf5977ed7a367e2ea55
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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