Ethanol → HCID 22405591, compound

HRID 138639Notes

Reaction equation

HRID 138639 reaction equation
[C:46](=[O:47])([OH:48])[O-:49].[CH3:51][CH2:52][OH:53].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[NH:10][c:11]2[c:12](=[O:37])[n:13]([CH2:23][C:24](=[O:25])[NH:26][CH:27]([C:28]([C:29]([F:30])([F:31])[F:32])=[O:33])[CH:34]([CH3:35])[CH3:36])[c:14](-[c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[cH:15][cH:16]2)[cH:38][cH:39]1.[Na+:50].[OH2:40].[OH2:41].[OH2:45].[Sn:42]([Cl:43])[Cl:44]>>[NH2:1][c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[NH:10][c:11]2[c:12](=[O:37])[n:13]([CH2:23][C:24](=[O:25])[NH:26][CH:27]([C:28]([C:29]([F:30])([F:31])[F:32])=[O:33])[CH:34]([CH3:35])[CH3:36])[c:14](-[c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[cH:15][cH:16]2)[cH:38][cH:39]1

Participants

7

Reactant 6

HCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962Water3×HCID 24479Stannous ChlorideHCID 22405608HCID 22405608, compound

Product 1

HCID 22405591HCID 22405591, compound

Sources & evidence

ORD record
ord-1beb5bd0905f4e969d7f47ec3874f8ce
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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