Ethanol → HCID 54142543, compound

HRID 1568584Notes

Reaction equation

HRID 1568584 reaction equation
[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH3:38][CH2:39][O:40][C:41]([CH3:42])=[O:43].[CH3:44][CH2:45][OH:46].[F:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH2:7][CH3:8])[cH:9][cH:10][c:11]([NH:13][C:14](=[S:15])[c:16]2[cH:17][c:18]3[c:23]([cH:24][cH:25]2)[C:22]([CH3:26])([CH3:27])[CH2:21][CH:20]=[C:19]3[c:28]2[cH:29][cH:30][c:31]([CH3:34])[cH:32][cH:33]2)[cH:12]1.[Na+:36].[OH-:35].[OH2:37]>>[F:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:9][cH:10][c:11]([NH:13][C:14](=[S:15])[c:16]2[cH:17][c:18]3[c:23]([cH:24][cH:25]2)[C:22]([CH3:26])([CH3:27])[CH2:21][CH:20]=[C:19]3[c:28]2[cH:29][cH:30][c:31]([CH3:34])[cH:32][cH:33]2)[cH:12]1

Participants

8

Reactant 7

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 54013279HCID 54013279, compound

Product 1

HCID 54142543HCID 54142543, compound

Sources & evidence

ORD record
ord-10ca093032aa442f9aececb793fb4859
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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