4-Chlorobenzylamine → 1-[(4-chlorophenyl)methyl]-3-isoquinolin-5-ylurea

반응식

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

참가 물질

반응물 3

HCID 660364-Chlorobenzylamine

HCID 811841,8-Diazabicyclo(5.4.0)undec-7-ene

HCID 88932512,2,2-trichloro-N-isoquinolin-5-ylacetamide

생성물 1

HCID 104481901-[(4-chlorophenyl)methyl]-3-isoquinolin-5-ylurea

출처 및 근거

ORD 기록: ord-9f06a3683fda4d279ac62e63d2d544be
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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