Chloride → 4-Cyclohex-1-en-1-yl-benzoic acid ethyl ester

HRID 1131850Notes

Reaction equation

HRID 1131850 reaction equation
[CH2:17]([CH3:18])[O:19][C:20]([c:21]1[cH:22][cH:23][c:24]([Sn:27]([CH2:28][CH2:29][CH2:30][CH3:31])([CH2:32][CH2:33][CH2:34][CH3:35])[CH2:36][CH2:37][CH2:38][CH3:39])[cH:25][cH:26]1)=[O:40].[CH3:43][N:44]1[CH2:45][CH2:46][CH2:47][C:48]1=[O:49].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[Cl-:16].[F-:41].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][C:7]1=[CH:8][CH2:9][CH2:10][CH2:11][CH2:12]1)(=[O:13])=[O:14].[K+:42].[Li+:15]>>[C:7]1([c:24]2[cH:23][cH:22][c:21]([C:20]([O:19][CH2:17][CH3:18])=[O:40])[cH:26][cH:25]2)=[CH:8][CH2:9][CH2:10][CH2:11][CH2:12]1

Participants

9

Reactant 8

HCID 312ChlorideHCID 813Potassium CationHCID 8857Ethyl AcetateHCID 13387N-methyl-2-pyrrolidoneHCID 28179Fluoride IonHCID 28486Lithium ionHCID 3194401-Cyclohexenyl trifluoromethanesulfonateHCID 11235991Ethyl 4-(tributylstannyl)benzoate

Product 1

HCID 575555304-Cyclohex-1-en-1-yl-benzoic acid ethyl ester

Sources & evidence

ORD record
ord-defcff2fc3cf426b8cac539b0e8ead49
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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