Ethanol → HCID 178507702, compound

HRID 120345Notes

Reaction equation

HRID 120345 reaction equation
[C:36](=[O:37])([OH:38])[O-:39].[CH2:41]([OH:42])[CH3:43].[CH3:30][CH2:31][O:32][C:33](=[O:34])[CH3:35].[N+:6]([O-:7])(=[O:8])[c:9]1[cH:10][cH:11][c:12](-[n:15]2[n:16][c:17]3[c:26]4[c:21]([nH:20][cH:19][c:18]-3[c:28]2=[O:29])[c:22]([F:27])[cH:23][cH:24][cH:25]4)[cH:13][cH:14]1.[Na+:40].[OH2:1].[OH2:2].[Sn:3]([Cl:4])[Cl:5]>>[NH2:6][c:9]1[cH:10][cH:11][c:12](-[n:15]2[n:16][c:17]3[c:26]4[c:21]([nH:20][cH:19][c:18]-3[c:28]2=[O:29])[c:22]([F:27])[cH:23][cH:24][cH:25]4)[cH:13][cH:14]1

Participants

8

Reactant 7

HCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962Water2×HCID 8857Ethyl AcetateHCID 24479Stannous ChlorideHCID 178515232HCID 178515232, compound

Product 1

HCID 178507702HCID 178507702, compound

Sources & evidence

ORD record
ord-788abc1a3843426ab71c96a9fddbd74f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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