Ethanol → HCID 67958121, compound

HRID 200347Notes

Reaction equation

HRID 200347 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[c:9]([n:10][c:11]1[N:12]1[CH2:13][CH2:14][CH:15]([C:18]([F:19])([F:20])[F:21])[CH2:16][CH2:17]1)[n:22]([CH3:42])[c:23]([NH:25][c:26]1[c:27]([Cl:41])[c:28]([CH2:33][NH:34][C:35]([C:36]([CH3:37])([CH3:38])[CH3:39])=[O:40])[cH:29][cH:30][c:31]1[Cl:32])[n:24]2.[CH3:43][CH2:44][OH:45].[K+:51].[OH2:52].[S:46](=[O:47])(=[O:48])([OH:49])[O-:50]>>[O:3]=[C:4]([OH:5])[c:6]1[cH:7][c:8]2[c:9]([n:10][c:11]1[N:12]1[CH2:13][CH2:14][CH:15]([C:18]([F:19])([F:20])[F:21])[CH2:16][CH2:17]1)[n:22]([CH3:42])[c:23]([NH:25][c:26]1[c:27]([Cl:41])[c:28]([CH2:33][NH:34][C:35]([C:36]([CH3:37])([CH3:38])[CH3:39])=[O:40])[cH:29][cH:30][c:31]1[Cl:32])[n:24]2

Participants

6

Reactant 5

HCID 702EthanolHCID 813Potassium CationHCID 962WaterHCID 61778Sulfate, hydrogenHCID 67957833HCID 67957833, compound

Product 1

HCID 67958121HCID 67958121, compound

Sources & evidence

ORD record
ord-04585ec1578b449bb62f27ac1124fd6b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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