Ethanol → HCID 178452057, compound
Reaction equation
[CH3:34][CH2:35][OH:36].[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[Cl:1][c:2]1[n:3]([CH2:10][C:11]2([CH3:14])[O:12][CH2:13]2)[cH:4][c:5]([N+:7](=[O:8])[O-:9])[n:6]1.[H-:37].[N:15]1([CH:21]2[CH2:22][CH2:23][N:24]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:25][CH2:26]2)[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]1.[Na+:38].[OH2:44]>>[c:2]12[n:3]([cH:4][c:5]([N+:7](=[O:8])[O-:9])[n:6]1)[CH2:10][C:11]([CH2:13][N:18]1[CH2:17][CH2:16][N:15]([CH:21]3[CH2:22][CH2:23][N:24]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:25][CH2:26]3)[CH2:20][CH2:19]1)([CH3:14])[O:12]2Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-9f50d7ab959849aaac4cdc366f972b16
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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