Chloride → Ethyl 14-chloro-2-(1-methylethyl)-5,9,13-trimethyl-2,4,8,12-tetradecatetraenoate

HRID 290183

Reaction equation

HRID 290183 reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([C:5](=[CH:6][CH:7]=[C:8]([CH2:9][CH2:10][CH:11]=[C:12]([CH2:13][CH2:14][CH:15]=[C:16]([CH2:17][OH:18])[CH3:19])[CH3:20])[CH3:21])[CH:22]([CH3:23])[CH3:24])=[O:25].[CH2:38]([O:39][CH2:40][CH3:41])[CH3:42].[CH3:28][N:29]([CH3:30])[CH:31]=[O:32].[CH3:33][S:34]([Cl:35])(=[O:36])=[O:37].[Cl-:27].[Li+:26].[OH2:43]>>[CH2:1]([CH3:2])[O:3][C:4]([C:5](=[CH:6][CH:7]=[C:8]([CH2:9][CH2:10][CH:11]=[C:12]([CH2:13][CH2:14][CH:15]=[C:16]([CH2:17][Cl:35])[CH3:19])[CH3:20])[CH3:21])[CH:22]([CH3:23])[CH3:24])=[O:25]

Participants

8

Reactant 7

HCID 312ChlorideHCID 962WaterHCID 3283Diethyl EtherHCID 6228DimethylformamideHCID 28486Lithium ionHCID 31297Methanesulfonyl chlorideHCID 54363154Ethyl 14-hydroxy-2-(1-methylethyl)-5,9,13-trimethyl-2,4,8,12-tetradecatetraenoate

Product 1

HCID 54546229Ethyl 14-chloro-2-(1-methylethyl)-5,9,13-trimethyl-2,4,8,12-tetradecatetraenoate

Sources & evidence

ORD record
ord-b62bfd87d0c645f09c4717e2f434a11a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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