Sodium ion → [3-[[4-hydroxy-4-(2-methyl-1,3-thiazol-5-yl)cyclohexyl]amino]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
Reaction equation
[C:54]([O:55][BH-:56]([O:57][C:58](=[O:59])[CH3:60])[O:61][C:62](=[O:63])[CH3:64])(=[O:65])[CH3:66].[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[CH:1]([CH3:2])([CH3:3])[C:4]1([C:10](=[O:11])[N:12]2[CH2:13][c:14]3[cH:15][c:16]([C:22]([F:23])([F:24])[F:25])[cH:17][cH:18][c:19]3[CH2:20][CH2:21]2)[CH2:5][CH:6]([NH2:9])[CH2:7][CH2:8]1.[Cl:68][CH2:69][Cl:70].[F:26][C:27]([F:28])([F:29])[C:30]([OH:31])=[O:32].[Na+:67].[OH:33][C:34]1([c:41]2[cH:42][n:43][c:44]([CH3:46])[s:45]2)[CH2:35][CH2:36][C:37](=[O:40])[CH2:38][CH2:39]1>>[CH:1]([CH3:2])([CH3:3])[C:4]1([C:10](=[O:11])[N:12]2[CH2:13][c:14]3[cH:15][c:16]([C:22]([F:23])([F:24])[F:25])[cH:17][cH:18][c:19]3[CH2:20][CH2:21]2)[CH2:5][CH:6]([NH:9][CH:37]2[CH2:36][CH2:35][C:34]([OH:33])([c:41]3[cH:42][n:43][c:44]([CH3:46])[s:45]3)[CH2:39][CH2:38]2)[CH2:7][CH2:8]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-31a84c08dfd44dcf989e392255453d96
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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