Aniline → N-(4-((phenylamino)methyl)phenyl)-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide

반응식

[CH3:37][N:38]([CH3:39])[CH:40]=[O:41].[Cl:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:9][C:10](=[O:11])[C:12]2=[CH:18][c:17]3[c:16]([cH:22][cH:21][c:20](-[c:23]4[cH:24][cH:25][c:26]([CH3:29])[cH:27][cH:28]4)[cH:19]3)[O:15][CH2:14][CH2:13]2)[cH:7][cH:8]1.[NH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1>>[CH2:2]([c:3]1[cH:4][cH:5][c:6]([NH:9][C:10](=[O:11])[C:12]2=[CH:18][c:17]3[c:16]([cH:22][cH:21][c:20](-[c:23]4[cH:24][cH:25][c:26]([CH3:29])[cH:27][cH:28]4)[cH:19]3)[O:15][CH2:14][CH2:13]2)[cH:7][cH:8]1)[NH:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1

참가 물질

반응물 3

HCID 6115Aniline

HCID 6228Dimethylformamide

HCID 18472316N-(4-chloromethylphenyl)-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide

생성물 1

HCID 18472340N-(4-((phenylamino)methyl)phenyl)-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide

출처 및 근거

ORD 기록: ord-07fc8294f88443baad04acc1c0f0b96f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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