Ethanol → Water

HRID 2136677Notes

Reaction equation

HRID 2136677 reaction equation
[CH3:1][c:2]1[cH:3][c:4]([CH2:9][c:10]2[c:11](=[O:20])[nH:12][c:13]([NH:16][N+:17](=[O:18])[O-:19])[n:14][cH:15]2)[cH:5][n:6][c:7]1[CH3:8].[CH3:21][c:22]1[c:23]([CH2:27][S:28][CH2:29][CH2:30][NH2:31])[n:24][cH:25][nH:26]1.[CH3:32][CH2:33][OH:34]>>[CH3:1][c:2]1[cH:3][c:4]([CH2:9][c:10]2[c:11](=[O:20])[nH:12][c:13]([NH:16][CH2:30][CH2:29][S:28][CH2:27][c:23]3[c:22]([CH3:21])[nH:26][cH:25][n:24]3)[n:14][cH:15]2)[cH:5][n:6][c:7]1[CH3:8].[OH2:18]

Participants

5

Reactant 3

HCID 702EthanolHCID 6655684-(((2-Aminoethyl)thio)methyl)-5-methylimidazoleHCID 127838315-(5,6-Dimethyl-3-pyridylmethyl)-2-nitroamino4-pyrimidone

Product 2

HCID 962WaterHCID 13458584HCID 13458584, compound

Sources & evidence

ORD record
ord-54b9239ad8a04011811b23d6726ca8d4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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