Ethanol → HCID 67274595, compound

HRID 668829Notes

Reaction equation

HRID 668829 reaction equation
[CH3:46][CH2:47][OH:48].[O:1]1[CH2:2][CH2:3][CH2:4][CH2:5][CH:6]1[O:7][c:8]1[cH:9][cH:10][c:11]([N:14]2[CH2:15][CH2:16][CH:17]([N:20]([CH3:21])[c:22]3[cH:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]3)[CH2:18][CH2:19]2)[cH:12][cH:13]1.[c:29]1([CH3:30])[cH:31][cH:32][c:33]([S:34]([O-:35])(=[O:36])=[O:37])[cH:38][cH:39]1.[nH+:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[OH:7][c:8]1[cH:9][cH:10][c:11]([N:14]2[CH2:15][CH2:16][CH:17]([N:20]([CH3:21])[c:22]3[cH:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]3)[CH2:18][CH2:19]2)[cH:12][cH:13]1

Participants

5

Reactant 4

HCID 702EthanolHCID 85570p-ToluenesulfonateHCID 4989215PyridiniumHCID 67274513HCID 67274513, compound

Product 1

HCID 67274595HCID 67274595, compound

Sources & evidence

ORD record
ord-e8e6438e6f3f4d5094ef1c336735a60d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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