Pyridine → N'-{[4-(3,4-Dichlorobenzyl)morpholin-2-yl]methyl}-N-(4-fluorophenyl)-N-methylurea

반응식

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

참가 물질

반응물 3

HCID 1049Pyridine

HCID 680244-Fluoro-N-methylaniline

HCID 115394484-Nitrophenyl [4-(3,4-dichlorobenzyl)morpholin-2-yl]methylcarbamate

생성물 1

HCID 17984716N'-{[4-(3,4-Dichlorobenzyl)morpholin-2-yl]methyl}-N-(4-fluorophenyl)-N-methylurea

출처 및 근거

ORD 기록: ord-28950dc47a7743b082ccdb1c5b265432
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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