1-(5-Tert-butylisoxazol-3-yl)-3-(3-mercaptophenyl)urea → 1-(5-Tert-butylisoxazol-3-yl)-3-(3-(6-(2-chloroethoxy)-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]([SH:20])[cH:17][cH:18][cH:19]2)[n:8][o:9]1.[Cl:21][c:22]1[n:23][cH:24][n:25][c:26]2[cH:27][c:28]([O:36][CH3:37])[c:29]([O:32][CH2:33][CH2:34][Cl:35])[cH:30][c:31]12>>[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:22]3[n:23][cH:24][n:25][c:26]4[cH:27][c:28]([O:36][CH3:37])[c:29]([O:32][CH2:33][CH2:34][Cl:35])[cH:30][c:31]34)[cH:17][cH:18][cH:19]2)[n:8][o:9]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-757e9a96eacb4d6eaec9af6750b4a3ee
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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