Acetic Acid → Acetyl chloride

HRID 167205

Reaction equation

HRID 167205 reaction equation
[C:1]([CH3:2])(=[O:3])[OH:4].[CH3:36][N:37]([CH3:38])[CH:39]=[O:40].[CH:26]([Cl:27])([Cl:28])[Cl:29].[O:5]=[C:6]1[c:7]2[c:8]([cH:17][cH:18][cH:19][cH:20]2)[O:9][CH2:10][c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2.[P:21]([Cl:22])([Cl:23])([Cl:24])=[O:25].[cH:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[C:1]([CH3:2])(=[O:4])[Cl:23].[O:5]=[C:6]1[c:7]2[c:8]([cH:17][cH:18][cH:19][cH:20]2)[O:9][CH2:10][c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2

Participants

8

Reactant 6

HCID 176Acetic AcidHCID 241BenzeneHCID 6212ChloroformHCID 6228DimethylformamideHCID 24813Phosphorus oxychlorideHCID 78259Dibenz[b,e]oxepin-11(6H)-one

Product 2

HCID 6367Acetyl chlorideHCID 78259Dibenz[b,e]oxepin-11(6H)-one

Sources & evidence

ORD record
ord-42be0c60b8584f029db045000ad61944
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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