Citric Acid → 1-Methyl-6-nitro-1H-indole-3-carbonitrile
Reaction equation
[CH3:15][C:16]([CH3:17])([O-:18])[CH3:19].[CH3:21][I:22].[K+:20].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([C:13]#[N:14])[cH:9][nH:10][c:11]2[cH:12]1.[O:36]1[CH2:37][CH2:38][CH2:39][CH2:40]1.[OH2:41].[OH:23][C:24]([CH2:25][C:26]([C:27](=[O:28])[OH:29])([CH2:30][C:31](=[O:32])[OH:33])[OH:34])=[O:35]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([C:13]#[N:14])[cH:9][n:10]([CH3:15])[c:11]2[cH:12]1Participants
8
Sources & evidence
- ORD record
- ord-82acf6d47e0145fc9c365b2ef9324656
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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