Acetonitrile → Tert-butyl 4-[3-(2-chloro-4-nitroimidazol-1-yl)-2-hydroxypropyl]piperazine-1-carboxylate
Reaction equation
[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:45][C:46]#[N:47].[Cl:1][c:2]1[n:3]([CH2:10][CH:11]([CH2:12][O:13][S:14]([c:15]2[cH:16][cH:17][c:18]([CH3:19])[cH:20][cH:21]2)(=[O:22])=[O:23])[OH:24])[cH:4][c:5]([N+:7](=[O:8])[O-:9])[n:6]1.[N:25]1([C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]1>>[Cl:1][c:2]1[n:3]([CH2:10][CH:11]([CH2:12][N:28]2[CH2:27][CH2:26][N:25]([C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[CH2:30][CH2:29]2)[OH:24])[cH:4][c:5]([N+:7](=[O:8])[O-:9])[n:6]1Participants
5
Sources & evidence
- ORD record
- ord-40c6176ac747477f9a247a9b775be39e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
Loading…