Ethanol → HCID 19775932, compound

HRID 110513Notes

Reaction equation

HRID 110513 reaction equation
[C:31](=[O:32])([OH:33])[O-:34].[CH3:1][n:2]1[n:3][c:4]([O:11][c:12]2[cH:13][cH:14][c:15]([N+:19]([O-:20])=[O:21])[c:16]([NH2:17])[cH:18]2)[cH:5][c:6]1[C:7]([F:8])([F:9])[F:10].[CH3:36][CH2:37][OH:38].[CH3:39][CH2:40][CH2:41][CH2:42][CH2:43][CH3:44].[Na+:28].[Na+:29].[Na+:35].[OH2:30].[S:22]([S:23]([O-:24])=[O:25])([O-:26])=[O:27]>>[CH3:1][n:2]1[n:3][c:4]([O:11][c:12]2[cH:13][cH:14][c:15]([NH2:19])[c:16]([NH2:17])[cH:18]2)[cH:5][c:6]1[C:7]([F:8])([F:9])[F:10]

Participants

8

Reactant 7

HCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ion3×HCID 962WaterHCID 1086DithioniteHCID 8058HexaneHCID 19775936HCID 19775936, compound

Product 1

HCID 19775932HCID 19775932, compound

Sources & evidence

ORD record
ord-7674096598e34303962faa06f694e53a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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