Ethanol → HCID 178485234, compound

HRID 2314309Notes

Reaction equation

HRID 2314309 reaction equation
[CH3:45][CH2:46][OH:47].[CH:1]1([c:4]2[cH:5][c:6]3[c:7]([n:8][c:9]2[CH2:10][N:11]([SH:12](=[O:13])=[O:14])[CH2:15][CH2:16][CH2:17][CH2:18][CH:19]([C:20](=[O:21])[O:22][CH2:23][CH3:24])[S:25](=[O:26])(=[O:27])[CH3:28])[o:29][c:30](-[c:36]2[cH:37][cH:38][c:39]([CH3:42])[cH:40][cH:41]2)[c:31]3[C:32]([NH:33][CH3:34])=[O:35])[CH2:2][CH2:3]1.[Na+:44].[OH-:43]>>[CH:1]1([c:4]2[cH:5][c:6]3[c:7]([n:8][c:9]2[CH2:10][N:11]([SH:12](=[O:13])=[O:14])[CH2:15][CH2:16][CH2:17][CH2:18][CH:19]([C:20](=[O:21])[OH:22])[S:25](=[O:26])(=[O:27])[CH3:28])[o:29][c:30](-[c:36]2[cH:37][cH:38][c:39]([CH3:42])[cH:40][cH:41]2)[c:31]3[C:32]([NH:33][CH3:34])=[O:35])[CH2:2][CH2:3]1

Participants

5

Reactant 4

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 178471423HCID 178471423, compound

Product 1

HCID 178485234HCID 178485234, compound

Sources & evidence

ORD record
ord-66965e131fcc4b24b3b7c7655a96fc2a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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