Ethanol → HCID 18472248, compound

HRID 1153136Notes

Reaction equation

HRID 1153136 reaction equation
[B:1]([O-:2])([O-:10])[O:11][c:3]1[cH:4][cH:5][c:6]([CH3:9])[cH:7][cH:8]1.[Br:12][c:13]1[cH:14][cH:15][c:16]2[c:17]([cH:35]1)[CH:18]=[C:19]([C:30](=[O:31])[O:32][CH2:33][CH3:34])[CH2:20][CH2:21][N:22]2[S:23](=[O:24])(=[O:25])[C:26]([F:27])([F:28])[F:29].[C:36](=[O:37])([O-:38])[O-:39].[CH2:49]([OH:50])[CH3:51].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[K+:40].[K+:41].[OH2:52].[c:42]1([CH3:43])[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[c:3]1(-[c:13]2[cH:14][cH:15][c:16]3[c:17]([cH:35]2)[CH:18]=[C:19]([C:30](=[O:31])[O:32][CH2:33][CH3:34])[CH2:20][CH2:21][N:22]3[S:23](=[O:24])(=[O:25])[C:26]([F:27])([F:28])[F:29])[cH:4][cH:5][c:6]([CH3:9])[cH:7][cH:8]1

Participants

9

Reactant 8

HCID 702EthanolHCID 813Potassium Cation2×HCID 962WaterHCID 1140TolueneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 18472485HCID 18472485, compoundHCID 866453334-Methylphenyl borate

Product 1

HCID 18472248HCID 18472248, compound

Sources & evidence

ORD record
ord-f147c3fa2abf414182270aa659f06f5a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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