Ethanol → HCID 10131458, compound

HRID 1222888Notes

Reaction equation

HRID 1222888 reaction equation
[C:27](=[O:28])([OH:29])[O-:30].[CH3:32][CH2:33][OH:34].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][c:6]2[c:7]([NH:16][c:17]3[cH:18][c:19]([C:23]([F:24])([F:25])[F:26])[cH:20][cH:21][cH:22]3)[c:8]([C:14]#[N:15])[cH:9][n:10][c:11]2[cH:12][cH:13]1.[Na+:31].[OH2:35]>>[NH2:1][c:4]1[cH:5][c:6]2[c:7]([NH:16][c:17]3[cH:18][c:19]([C:23]([F:24])([F:25])[F:26])[cH:20][cH:21][cH:22]3)[c:8]([C:14]#[N:15])[cH:9][n:10][c:11]2[cH:12][cH:13]1

Participants

6

Reactant 5

HCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 9924935HCID 9924935, compound

Product 1

HCID 10131458HCID 10131458, compound

Sources & evidence

ORD record
ord-a9323aea7e8d42389f9874b4b076c9ca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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