N,N-Dimethylpiperidin-4-amine → N-(2,4-dichlorophenyl)-9-(4-(dimethylamino)piperidine-1-carbonyl)-N-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamide

HRID 208053

반응식

HRID 208053 반응식
[CH3:30][N:31]([CH:32]1[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]1)[CH3:38].[Cl:1][c:2]1[c:3]([N:9]([C:10](=[O:11])[c:12]2[cH:13][c:14]3[c:20]([s:21]2)-[c:19]2[c:18]([cH:25][cH:24][c:23]([C:26](=[O:27])[OH:28])[cH:22]2)[O:17][CH2:16][CH2:15]3)[CH3:29])[cH:4][cH:5][c:6]([Cl:8])[cH:7]1>>[Cl:1][c:2]1[c:3]([N:9]([C:10](=[O:11])[c:12]2[cH:13][c:14]3[c:20]([s:21]2)-[c:19]2[c:18]([cH:25][cH:24][c:23]([C:26](=[O:28])[N:35]4[CH2:34][CH2:33][CH:32]([N:31]([CH3:30])[CH3:38])[CH2:37][CH2:36]4)[cH:22]2)[O:17][CH2:16][CH2:15]3)[CH3:29])[cH:4][cH:5][c:6]([Cl:8])[cH:7]1

참가 물질

3

반응물 2

HCID 417391N,N-Dimethylpiperidin-4-amineHCID 668689222-[(2,4-Dichloro-phenyl)-methyl-carbamoyl]-4,5-dihydro-6-oxa-1-thia-benzo[e]azulene-9-carboxylic acid

생성물 1

HCID 57900140N-(2,4-dichlorophenyl)-9-(4-(dimethylamino)piperidine-1-carbonyl)-N-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamide

출처 및 근거

ORD 기록
ord-c2a9c77b5da947089000a7da1f5f46f1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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