1,8-Diazabicyclo(5.4.0)undec-7-ene → 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-isoquinolin-5-ylurea

반응식

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

참가 물질

반응물 3

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

HCID 485440Benzenemethanamine, 4-chloro-3-(trifluoromethyl)-

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

생성물 1

HCID 103850751-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-isoquinolin-5-ylurea

출처 및 근거

ORD 기록: ord-7f1ecafc0aab4e20b62530eb3860f26c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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