Ethanol → HCID 58677627, compound

HRID 289132Notes

Reaction equation

HRID 289132 reaction equation
[CH3:46][CH2:47][OH:48].[CH3:49][CH2:50][O:51][C:52]([CH3:53])=[O:54].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[c:6]2[cH:7][c:8]([NH:13][C:14]([NH:15][CH2:16][CH2:17][O:18][C:19](=[O:20])[C:21]([CH3:22])=[CH2:23])=[O:24])[cH:9][cH:10][c:11]2[CH3:12])[cH:25][cH:26][c:27]([NH:29][c:30]2[c:31]([F:37])[cH:32][c:33]([F:36])[cH:34][cH:35]2)[cH:28]1.[Na+:39].[Na+:44].[O-:40][C:41]([OH:42])=[O:43].[OH-:38].[OH2:45]>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[c:6]2[cH:7][c:8]([NH:13][C:14]([NH:15][CH2:16][CH2:17][OH:18])=[O:24])[cH:9][cH:10][c:11]2[CH3:12])[cH:25][cH:26][c:27]([NH:29][c:30]2[c:31]([F:37])[cH:32][c:33]([F:36])[cH:34][cH:35]2)[cH:28]1

Participants

8

Reactant 7

HCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 961HydroxideHCID 962WaterHCID 8857Ethyl AcetateHCID 58677504HCID 58677504, compound

Product 1

HCID 58677627HCID 58677627, compound

Sources & evidence

ORD record
ord-81a943ca9e0540239d0a667d754d4c7e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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