1-Butanol → HCID 22933738, compound

HRID 113352Notes

Reaction equation

HRID 113352 reaction equation
[CH2:42]([OH:43])[CH2:44][CH2:45][CH3:46].[CH3:35][C:36]([O:37][C:38](=[O:39])[CH3:40])=[O:41].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[CH3:6][S:7](=[O:8])(=[O:9])[O:10][c:11]1[c:12]([O:25][CH3:26])[c:13]([CH3:24])[c:14]([NH:17][C:18]([C:19]([CH3:20])([CH3:21])[CH3:22])=[O:23])[cH:15][cH:16]1.[Na+:28].[OH-:27].[S:1](=[O:2])(=[O:3])([OH:4])[OH:5].[cH:29]1[cH:30][cH:31][n:32][cH:33][cH:34]1>>[CH3:6][S:7](=[O:8])(=[O:9])[O:10][c:11]1[c:12]([O:25][CH3:26])[c:13]([CH3:24])[c:14]([NH:17][C:18]([CH3:19])=[O:23])[cH:15][cH:16]1

Participants

9

Reactant 8

HCID 2631-ButanolHCID 923Sodium ionHCID 961HydroxideHCID 1049PyridineHCID 1118Sulfuric AcidHCID 7918Acetic AnhydrideHCID 8857Ethyl AcetateHCID 18447135HCID 18447135, compound

Product 1

HCID 22933738HCID 22933738, compound

Sources & evidence

ORD record
ord-1f62e5cff8a74fc6886e9faeefc7a53b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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