Acetic Acid → HCID 20373898, compound

HRID 1119870Notes

Reaction equation

HRID 1119870 reaction equation
[CH3:32][C:33](=[O:34])[OH:35].[O:1]=[C:2]1[CH:3]([CH2:24][CH3:25])[CH:4]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[c:5]2[cH:6][c:7]([O:13][CH2:14][C:15](=[O:16])[OH:17])[c:8]([Cl:12])[c:9]([Cl:11])[c:10]21.[OH2:31].[S:26]([Cl:27])(=[O:28])([Cl:29])=[O:30]>>[O:1]=[C:2]1[C:3]([CH2:24][CH3:25])([Cl:29])[CH:4]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[c:5]2[cH:6][c:7]([O:13][CH2:14][C:15](=[O:16])[OH:17])[c:8]([Cl:12])[c:9]([Cl:11])[c:10]21

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 24648Sulfuryl chlorideHCID 12395614HCID 12395614, compound

Product 1

HCID 20373898HCID 20373898, compound

Sources & evidence

ORD record
ord-f7c36ae295874bf0bb4963daff63c915
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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