Acetonitrile → 4-[2-(3-Nitro-phenyl)-oxazolo[4,5-b]pyridin-5-ylmethyl]-piperazine-1-carboxylic acid tert-butyl ester
Reaction equation
[Br:1][CH2:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([n:8]1)[n:9][c:10](-[c:12]1[cH:13][c:14]([N+:18](=[O:19])[O-:20])[cH:15][cH:16][cH:17]1)[o:11]2.[C:28](=[O:29])([O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[N:35]1[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]1.[CH3:21][CH2:22][N:23]([CH2:24][CH3:25])[CH2:26][CH3:27].[CH3:41][C:42]#[N:43]>>[CH2:2]([c:3]1[cH:4][cH:5][c:6]2[c:7]([n:8]1)[n:9][c:10](-[c:12]1[cH:13][c:14]([N+:18](=[O:19])[O-:20])[cH:15][cH:16][cH:17]1)[o:11]2)[N:38]1[CH2:37][CH2:36][N:35]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[CH2:40][CH2:39]1Participants
5
Sources & evidence
- ORD record
- ord-ffa8ef18431b48b78b2576617b44720c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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