Methanol → 8-Indan-5-yl-2-[4-(2-morpholin-4-yl-ethyl)-phenylamino]-5-oxo-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl amide
반응식
[CH2:1]([O:2][C:4](=[O:5])[c:6]1[c:7](=[O:40])[c:8]2[c:9]([n:10][c:11]([NH:14][c:15]3[cH:16][cH:17][c:18]([CH2:21][CH2:22][N:23]4[CH2:24][CH2:25][O:26][CH2:27][CH2:28]4)[cH:19][cH:20]3)[n:12][cH:13]2)[n:29](-[c:31]2[cH:32][c:33]3[c:37]([cH:38][cH:39]2)[CH2:36][CH2:35][CH2:34]3)[cH:30]1)[CH3:3].[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:41][CH2:42][NH2:43].[CH3:44][OH:45]>>[C:4](=[O:5])([c:6]1[c:7](=[O:40])[c:8]2[c:9]([n:10][c:11]([NH:14][c:15]3[cH:16][cH:17][c:18]([CH2:21][CH2:22][N:23]4[CH2:24][CH2:25][O:26][CH2:27][CH2:28]4)[cH:19][cH:20]3)[n:12][cH:13]2)[n:29](-[c:31]2[cH:32][c:33]3[c:37]([cH:38][cH:39]2)[CH2:36][CH2:35][CH2:34]3)[cH:30]1)[NH:43][CH2:42][CH3:41]참가 물질
5
출처 및 근거
- ORD 기록
- ord-f413271a67eb47f98e44705d2c0f477d
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)