Ethanol → HCID 10149817, compound

HRID 2128669Notes

Reaction equation

HRID 2128669 reaction equation
[C:36](=[O:37])([O-:38])[O-:39].[CH2:43]([OH:44])[CH3:45].[CH3:29][N:30]1[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]1.[K+:40].[K+:41].[N:1]1([CH2:7][c:8]2[cH:9][cH:10][c:11]([C:14]#[C:15][CH2:16][CH2:17][O:18][S:19]([c:20]3[cH:21][cH:22][c:23]([CH3:24])[cH:25][cH:26]3)(=[O:27])=[O:28])[cH:12][cH:13]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[OH2:42].[OH2:46]>>[N:1]1([CH2:7][c:8]2[cH:9][cH:10][c:11]([C:14]#[C:15][CH2:16][CH2:17][N:33]3[CH2:32][CH2:31][N:30]([CH3:29])[CH2:35][CH2:34]3)[cH:12][cH:13]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

7

Reactant 6

HCID 702EthanolHCID 813Potassium Cation2×HCID 962Water2×HCID 19660Carbonate IonHCID 531671-MethylpiperazineHCID 58981682HCID 58981682, compound

Product 1

HCID 10149817HCID 10149817, compound

Sources & evidence

ORD record
ord-b5260406ea0f4505b8f064448d304f63
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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