3-Hydroxy-2,2-dimethylpropionic acid → N-{2-[(4-{[3-Chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}quinazolin-5-yl)oxy]ethyl}-3-hydroxy-N,2,2-trimethylpropanamide
반응식
[Cl:9][c:10]1[cH:11][c:12]([NH:24][c:25]2[n:26][cH:27][n:28][c:29]3[cH:30][cH:31][cH:32][c:33]([O:35][CH2:36][CH2:37][NH:38][CH3:39])[c:34]23)[cH:13][cH:14][c:15]1[O:16][CH2:17][c:18]1[n:19][cH:20][cH:21][cH:22][cH:23]1.[OH:1][CH2:2][C:3]([C:4](=[O:5])[OH:6])([CH3:7])[CH3:8]>>[OH:1][CH2:2][C:3]([C:4](=[O:6])[N:38]([CH2:37][CH2:36][O:35][c:33]1[cH:32][cH:31][cH:30][c:29]2[n:28][cH:27][n:26][c:25]([NH:24][c:12]3[cH:11][c:10]([Cl:9])[c:15]([O:16][CH2:17][c:18]4[n:19][cH:20][cH:21][cH:22][cH:23]4)[cH:14][cH:13]3)[c:34]21)[CH3:39])([CH3:7])[CH3:8]참가 물질
3
출처 및 근거
- ORD 기록
- ord-a963bf965cfa4ce2894bf3b1d9f5ee29
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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