Acetonitrile → 2-[4-[[2-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5-methylbenzonitrile
반응식
[CH3:35][C:36]#[N:37].[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[CH2:8][CH2:9][N:10]([c:12]1[c:13]([C:14]#[N:15])[cH:16][c:17]([CH3:20])[cH:18][cH:19]1)[CH2:11]2.[NH2:21][CH:22]([CH2:23][OH:24])[c:25]1[cH:26][n:27][c:28]([C:31]([F:32])([F:33])[F:34])[cH:29][cH:30]1>>[c:2]1([NH:21][CH:22]([CH2:23][OH:24])[c:25]2[cH:26][n:27][c:28]([C:31]([F:32])([F:33])[F:34])[cH:29][cH:30]2)[c:3]2[c:4]([n:5][cH:6][n:7]1)[CH2:8][CH2:9][N:10]([c:12]1[c:13]([C:14]#[N:15])[cH:16][c:17]([CH3:20])[cH:18][cH:19]1)[CH2:11]2참가 물질
4
반응물 3
생성물 1
출처 및 근거
- ORD 기록
- ord-8849f3a5c1d54475828d31b252658f49
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)