Acetic Acid → 1-[Benzyl-[[3-chloro-5-[methyl(propan-2-yl)amino]pyrazin-2-yl]methyl]amino]-3-methoxypropan-2-ol
Reaction equation
[C:29]([O:30][BH-:31]([O:32][C:33](=[O:34])[CH3:35])[O:36][C:37](=[O:38])[CH3:39])(=[O:40])[CH3:41].[C:43](=[O:44])([O-:45])[OH:46].[CH2:15]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[NH:22][CH2:23][CH:24]([CH2:25][O:26][CH3:27])[OH:28].[CH3:48][C:49]#[N:50].[CH3:51][C:52](=[O:53])[OH:54].[Cl:1][c:2]1[c:3]([CH:13]=[O:14])[n:4][cH:5][c:6]([N:8]([CH:9]([CH3:10])[CH3:11])[CH3:12])[n:7]1.[Na+:42].[Na+:47]>>[Cl:1][c:2]1[c:3]([CH2:13][N:22]([CH2:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[CH2:23][CH:24]([CH2:25][O:26][CH3:27])[OH:28])[n:4][cH:5][c:6]([N:8]([CH:9]([CH3:10])[CH3:11])[CH3:12])[n:7]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-1de595a49d214104a256ae1d1e534c7a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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