Sodium ion → [3-[(4-hydroxy-4-pyrimidin-2-ylcyclohexyl)amino]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
반응식
[C:40]([O:41][BH-:42]([O:43][C:44](=[O:45])[CH3:46])[O:47][C:48](=[O:49])[CH3:50])(=[O:51])[CH3:52].[CH:15]([CH3:16])([CH3:17])[C:18]1([C:24](=[O:25])[N:26]2[CH2:27][c:28]3[cH:29][c:30]([C:36]([F:37])([F:38])[F:39])[cH:31][cH:32][c:33]3[CH2:34][CH2:35]2)[CH2:19][CH:20]([NH2:23])[CH2:21][CH2:22]1.[Na+:53].[OH:1][C:2]1([c:9]2[n:10][cH:11][cH:12][cH:13][n:14]2)[CH2:3][CH2:4][C:5](=[O:8])[CH2:6][CH2:7]1>>[OH:1][C:2]1([c:9]2[n:10][cH:11][cH:12][cH:13][n:14]2)[CH2:3][CH2:4][CH:5]([NH:23][CH:20]2[CH2:19][C:18]([CH:15]([CH3:16])[CH3:17])([C:24](=[O:25])[N:26]3[CH2:27][c:28]4[cH:29][c:30]([C:36]([F:37])([F:38])[F:39])[cH:31][cH:32][c:33]4[CH2:34][CH2:35]3)[CH2:22][CH2:21]2)[CH2:6][CH2:7]1참가 물질
5
반응물 4
생성물 1
출처 및 근거
- ORD 기록
- ord-937834b814e945f38332c82b6f545439
- 출처 데이터셋
- Test data from https://doi.org/10.1039/C8SC04228D
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