Ethanol → HCID 10131458, compound

HRID 182798Notes

Reaction equation

HRID 182798 reaction equation
[CH3:33][CH2:34][OH:35].[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+:32].[O-:28][C:29]([OH:30])=[O:31].[OH2:27]>>[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-4f36710379134e5d8611d776c98d839f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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