1-(2-Hydroxyethyl)piperazine → 1-(5-Tert-butylisoxazol-3-yl)-3-(3-(6-(2-(4-(2-hydroxyethyl)piperazin-1-yl)ethoxy)-7-methoxyquinazolin-4-ylthio)phenyl)urea
반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:10][C:11](=[O:12])[NH:13][c:14]2[cH:15][c:16]([S:20][c:21]3[n:22][cH:23][n:24][c:25]4[cH:26][c:27]([O:35][CH3:36])[c:28]([O:31][CH2:32][CH2:33][Cl:34])[cH:29][c:30]34)[cH:17][cH:18][cH:19]2)[n:8][o:9]1.[OH:37][CH2:38][CH2:39][N:40]1[CH2:41][CH2:42][NH:43][CH2:44][CH2:45]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:10][C:11](=[O:12])[NH:13][c:14]2[cH:15][c:16]([S:20][c:21]3[n:22][cH:23][n:24][c:25]4[cH:26][c:27]([O:35][CH3:36])[c:28]([O:31][CH2:32][CH2:33][N:43]5[CH2:42][CH2:41][N:40]([CH2:39][CH2:38][OH:37])[CH2:45][CH2:44]5)[cH:29][c:30]34)[cH:17][cH:18][cH:19]2)[n:8][o:9]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-e7f252d8dcc94cb3bce750cfa5d17807
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
반응 노트
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