Sodium ion → 5-(3-ethyl-4-(6-((2-(trimethyl silyl)ethoxy)methyl)-6H-pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyrazin-1-yl)cyclopentyloxy)pyrazine-2-carbonitrile
반응식
[CH2:1]([CH3:2])[CH:3]1[CH2:4][CH:5]([OH:28])[CH2:6][CH:7]1[c:8]1[n:9][n:10][c:11]2[n:12]1[c:13]1[c:14]([n:15][cH:16]2)[n:17]([CH2:20][O:21][CH2:22][CH2:23][Si:24]([CH3:25])([CH3:26])[CH3:27])[cH:18][cH:19]1.[Cl:31][c:32]1[n:33][cH:34][c:35]([C:38]#[N:39])[n:36][cH:37]1.[H-:30].[Na+:29].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45].[OH2:40]>>[CH2:1]([CH3:2])[CH:3]1[CH2:4][CH:5]([O:28][c:32]2[n:33][cH:34][c:35]([C:38]#[N:39])[n:36][cH:37]2)[CH2:6][CH:7]1[c:8]1[n:9][n:10][c:11]2[n:12]1[c:13]1[c:14]([n:15][cH:16]2)[n:17]([CH2:20][O:21][CH2:22][CH2:23][Si:24]([CH3:25])([CH3:26])[CH3:27])[cH:18][cH:19]1참가 물질
7
반응물 6
생성물 1
출처 및 근거
- ORD 기록
- ord-85139aaf790c412bb2a51fb152523970
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
반응 노트
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