Calcium Cation → 4-(4-oxocyclohexyl)benzoyl Chloride

HRID 2348741Notes

Reaction equation

HRID 2348741 reaction equation
[Al+3:25].[Al+3:2].[CH2:44]([Cl:45])[Cl:46].[Ca+2:43].[Cl-:1].[Cl-:24].[Cl-:39].[Cl-:3].[Cl-:40].[Cl-:41].[Cl-:42].[Cl-:4].[Cl:18][C:19](=[O:20])[C:21]([Cl:22])=[O:23].[OH2:47].[c:26]1([CH:27]2[CH2:28][CH2:29][C:30](=[O:31])[CH2:32][CH2:33]2)[cH:34][cH:35][cH:36][cH:37][cH:38]1.[c:5]1([CH:11]2[CH2:12][CH2:13][C:14](=[O:17])[CH2:15][CH2:16]2)[cH:6][cH:7][cH:8][cH:9][cH:10]1>>[c:5]1([CH:11]2[CH2:12][CH2:13][C:14](=[O:17])[CH2:15][CH2:16]2)[cH:6][cH:7][c:8]([C:19]([Cl:18])=[O:20])[cH:9][cH:10]1

Participants

8

Reactant 7

HCID 271Calcium CationHCID 312Chloride8×HCID 962WaterHCID 6344DichloromethaneHCID 65578Oxalyl chlorideHCID 786054-Phenylcyclohexanone2×HCID 104727Aluminum Cation2×

Product 1

HCID 109774594-(4-oxocyclohexyl)benzoyl Chloride

Sources & evidence

ORD record
ord-3a64e826ea374ef6b263f91160b89ff8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…