Ethanol → HCID 20063871, compound

HRID 662287Notes

Reaction equation

HRID 662287 reaction equation
[CH3:34][CH2:35][O:36][C:37](=[O:38])[CH3:39].[CH3:46][CH2:47][OH:48].[K+:45].[NH2:1][c:2]1[c:3]([S:15][CH:16]([CH:17]([C:18](=[O:19])[O:20][CH2:21][CH3:22])[OH:23])[c:24]2[cH:25][c:26]([F:32])[c:27]([O:30][CH3:31])[cH:28][cH:29]2)[cH:4][c:5]([O:8][c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:6][cH:7]1.[OH2:33].[S:40]([O-:41])([OH:42])(=[O:43])=[O:44]>>[NH2:1][c:2]1[c:3]([S:15][CH:16]([CH:17]([C:18](=[O:19])[OH:20])[OH:23])[c:24]2[cH:25][c:26]([F:32])[c:27]([O:30][CH3:31])[cH:28][cH:29]2)[cH:4][c:5]([O:8][c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 702EthanolHCID 813Potassium CationHCID 962WaterHCID 8857Ethyl AcetateHCID 61778Sulfate, hydrogenHCID 20063865HCID 20063865, compound

Product 1

HCID 20063871HCID 20063871, compound

Sources & evidence

ORD record
ord-958daeb5577e42569a54ae202bdebbaf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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