7,8-Dimethoxy-3-[3-(methylamino)propyl]-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one → 1-[7,8-Dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-on-3-yl]-3-[N-methyl-N-(2-{4-amino-3,5-dibromo-phenyl}-ethyl)-amino]-propane

반응식

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

참가 물질

반응물 2

HCID 100172197,8-Dimethoxy-3-[3-(methylamino)propyl]-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one

HCID 204338342-(4-Amino-3,5-dibromophenyl)-ethyl chloride

생성물 1

HCID 133166791-[7,8-Dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-on-3-yl]-3-[N-methyl-N-(2-{4-amino-3,5-dibromo-phenyl}-ethyl)-amino]-propane

출처 및 근거

ORD 기록: ord-264ae1da058041e99582619289a4dd1f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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