Toluene → 2-Hydroxymethyl-4-methyl-8-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]-5,8dihydro-6H-pyrido[2,3-d]pyrimidin-7-one
반응식
[CH3:37][S:38](=[O:39])(=[O:40])[OH:41].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[OH:1][CH2:2][c:3]1[n:4][c:5]([CH3:36])[c:6]2[c:7]([n:8]1)[N:9]([CH2:14][c:15]1[cH:16][cH:17][c:18](-[c:21]3[c:22](-[c:27]4[n:28][n:29][n:30][n:31]4[C:32]([CH3:33])([CH3:34])[CH3:35])[cH:23][cH:24][cH:25][cH:26]3)[cH:19][cH:20]1)[C:10](=[O:13])[CH2:11][CH2:12]2>>[OH:1][CH2:2][c:3]1[n:4][c:5]([CH3:36])[c:6]2[c:7]([n:8]1)[N:9]([CH2:14][c:15]1[cH:16][cH:17][c:18](-[c:21]3[c:22](-[c:27]4[n:28][n:29][n:30][nH:31]4)[cH:23][cH:24][cH:25][cH:26]3)[cH:19][cH:20]1)[C:10](=[O:13])[CH2:11][CH2:12]2참가 물질
4
반응물 3
생성물 1
출처 및 근거
- ORD 기록
- ord-9c52c25d192d4fbeb87f4653490d3f77
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)