Ethanol → HCID 75304137, compound

HRID 1554875Notes

Reaction equation

HRID 1554875 reaction equation
[CH3:18][C:19]([CH2:20][O:21][CH:22]1[CH2:23][CH2:24][CH2:25][CH2:26][O:27]1)([CH3:28])[c:29]1[n:30][o:31][c:32]([NH:34][C:35](=[O:36])[CH:37]2[N:38]([c:41]3[n:42][cH:43][c:44]([C:48]([F:49])([F:50])[F:51])[cH:45][c:46]3[Cl:47])[CH2:39][CH2:40]2)[cH:33]1.[CH3:52][CH2:53][OH:54].[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([O-:7])(=[O:8])=[O:9])[cH:10][cH:11]1.[nH+:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1>>[CH3:18][C:19]([CH2:20][OH:21])([CH3:28])[c:29]1[n:30][o:31][c:32]([NH:34][C:35](=[O:36])[CH:37]2[N:38]([c:41]3[n:42][cH:43][c:44]([C:48]([F:49])([F:50])[F:51])[cH:45][c:46]3[Cl:47])[CH2:39][CH2:40]2)[cH:33]1

Participants

5

Reactant 4

HCID 702EthanolHCID 85570p-ToluenesulfonateHCID 4989215PyridiniumHCID 77437952HCID 77437952, compound

Product 1

HCID 75304137HCID 75304137, compound

Sources & evidence

ORD record
ord-4bc0dccd843d4558949422de0e7aa8aa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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