1,8-Diazabicyclo(5.4.0)undec-7-ene → 1-(4-tert-Butyl-benzyl)-3-isoquinolin-5-yl-urea
반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH2:9][NH2:10])[cH:11][cH:12]1.[CH2:30]1[CH2:31][CH2:32][C:33]2=[N:38][CH2:37][CH2:36][CH2:35][N:34]2[CH2:39][CH2:40]1.[Cl:13][C:14]([C:15](=[O:16])[NH:17][c:18]1[c:19]2[cH:20][cH:21][n:22][cH:23][c:24]2[cH:25][cH:26][cH:27]1)([Cl:28])[Cl:29]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH2:9][NH:10][C:15](=[O:16])[NH:17][c:18]2[c:19]3[cH:20][cH:21][n:22][cH:23][c:24]3[cH:25][cH:26][cH:27]2)[cH:11][cH:12]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-e49ff54eb12a487eb63334ee0a325a1c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
반응 노트
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