Acetic Acid → HCID 20075700, compound

HRID 159054Notes

Reaction equation

HRID 159054 reaction equation
[CH2:1]([CH3:2])[SH:3].[CH2:4]([CH2:5][CH2:6][CH2:7][CH3:8])[CH:9]1[CH2:10][CH2:11][CH:12]([CH:15]2[CH2:16][CH2:17][C:18]([OH:21])([CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[CH2:19][CH2:20]2)[CH2:13][CH2:14]1.[CH3:29][C:30]([O:31][C:32](=[O:33])[CH3:34])=[O:35].[CH3:43][C:44](=[O:45])[OH:46].[Cl+3:36]([OH:37])([O-:38])([O-:39])[O-:40].[Cl-:42].[Na+:41]>>[CH2:1]([CH3:2])[S:3][C:18]1([CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[CH2:17][CH2:16][CH:15]([CH:12]2[CH2:11][CH2:10][CH:9]([CH2:4][CH2:5][CH2:6][CH2:7][CH3:8])[CH2:14][CH2:13]2)[CH2:20][CH2:19]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 312ChlorideHCID 923Sodium ionHCID 6343EthanethiolHCID 7918Acetic AnhydrideHCID 24247Perchloric AcidHCID 20076205HCID 20076205, compound

Product 1

HCID 20075700HCID 20075700, compound

Sources & evidence

ORD record
ord-862a70e9c17e4f5fadb500e87670cdb3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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