Ethanol → HCID 19607981, compound

HRID 1229437Notes

Reaction equation

HRID 1229437 reaction equation
[CH3:1][N:2]([CH2:3][CH2:4][CH2:5][O:6][CH:7]1[CH2:8][CH2:9][CH2:10][CH2:11][O:12]1)[CH:13]1[CH2:14][CH2:15][CH2:16][N:17]([C:24]([c:25]2[cH:26][cH:27][c:28]([NH:31][C:32]([c:33]3[c:34]([CH3:39])[cH:35][cH:36][cH:37][cH:38]3)=[O:40])[cH:29][cH:30]2)=[O:41])[c:18]2[c:19]1[cH:20][cH:21][cH:22][cH:23]2.[CH3:60][CH2:61][OH:62].[OH2:59].[c:42]1([CH3:43])[cH:44][cH:45][c:46]([S:47]([O-:48])(=[O:49])=[O:50])[cH:51][cH:52]1.[nH+:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[CH3:1][N:2]([CH2:3][CH2:4][CH2:5][OH:6])[CH:13]1[CH2:14][CH2:15][CH2:16][N:17]([C:24]([c:25]2[cH:26][cH:27][c:28]([NH:31][C:32]([c:33]3[c:34]([CH3:39])[cH:35][cH:36][cH:37][cH:38]3)=[O:40])[cH:29][cH:30]2)=[O:41])[c:18]2[c:19]1[cH:20][cH:21][cH:22][cH:23]2

Participants

6

Reactant 5

HCID 702EthanolHCID 962WaterHCID 85570p-ToluenesulfonateHCID 4989215PyridiniumHCID 19607827HCID 19607827, compound

Product 1

HCID 19607981HCID 19607981, compound

Sources & evidence

ORD record
ord-eb22f55e2f384942be0682a32e5036eb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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