1-Methylpiperazine → N-(2-chlorophenyl)-N-methyl-8-((4-methylpiperazin-1-yl)methyl)-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamide

반응식

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

참가 물질

반응물 2

HCID 531671-Methylpiperazine

HCID 568341528-(Bromomethyl)-N-(2-chlorophenyl)-N-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamide

생성물 1

HCID 57900512N-(2-chlorophenyl)-N-methyl-8-((4-methylpiperazin-1-yl)methyl)-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamide

출처 및 근거

ORD 기록: ord-480fee589c214fd4ba6fc96f1d10751c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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