Acetonitrile → 1-Methyl-3-nitro-2-oxo-1,2-dihydroquinolin-4-yl 4-methylbenzene-1-sulfonate
Reaction equation
[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[CH3:35][C:36]#[N:37].[CH3:38][N:39]([c:40]1[cH:41][cH:42][n:43][cH:44][cH:45]1)[CH3:46].[OH:12][c:13]1[c:14]([N+:25](=[O:26])[O-:27])[c:15](=[O:24])[n:16]([CH3:23])[c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]12.[S:1](=[O:2])(=[O:3])([c:4]1[cH:5][cH:6][c:7]([CH3:8])[cH:9][cH:10]1)[Cl:11]>>[S:1](=[O:2])(=[O:3])([c:4]1[cH:5][cH:6][c:7]([CH3:8])[cH:9][cH:10]1)[O:12][c:13]1[c:14]([N+:25](=[O:26])[O-:27])[c:15](=[O:24])[n:16]([CH3:23])[c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]12Participants
6
Sources & evidence
- ORD record
- ord-9951b47caf8841d9a2f89d9c4f7899e6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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