Acetic Acid → HCID 12834425, compound

HRID 2340698Notes

Reaction equation

HRID 2340698 reaction equation
[BrH:1].[CH3:34][CH2:35][OH:36].[CH3:40][C:41](=[O:42])[OH:43].[NH2:2][N:3]=[CH:4][S:5][CH2:6][c:7]1[cH:8][cH:9][c:10]([C:11](=[O:12])[OH:13])[cH:14][cH:15]1.[Na+:38].[OH-:37].[OH2:39].[s:16]1[c:17]([CH2:21][CH2:22][S:23]([O:24][c:25]2[cH:26][cH:27][c:28]([CH3:29])[cH:30][cH:31]2)(=[O:32])=[O:33])[cH:18][cH:19][cH:20]1>>[CH2:4]([S:5][CH2:6][c:7]1[cH:8][cH:9][c:10]([C:11](=[O:12])[OH:13])[cH:14][cH:15]1)[CH2:21][c:17]1[s:16][cH:20][cH:19][cH:18]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 260Hydrogen BromideHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 20485167HCID 20485167, compoundHCID 70533064HCID 70533064, compound

Product 1

HCID 12834425HCID 12834425, compound

Sources & evidence

ORD record
ord-778615b416204e538cae9aeafad8c704
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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