Chloride → 1-[2-Chloro-4-fluoro-5-(1,2,3,4,5,6-hexahydro-1,3-dioxo-isoindolyl)-phenylthio]-cyclopropanecarboxylic acid methyl ester

HRID 1556534Notes

Reaction equation

HRID 1556534 reaction equation
[C:37]([O:38][CH3:39])(=[O:40])[CH3:41].[CH3:28][OH:29].[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[Cl-:1].[Cl:2][c:3]1[c:4]([S:21][C:22]2([C:25](=[O:26])[OH:27])[CH2:23][CH2:24]2)[cH:5][c:6]([N:10]2[C:11](=[O:20])[C:12]3=[CH:13][CH2:14][CH2:15][CH2:16][CH:17]3[C:18]2=[O:19])[c:7]([F:9])[cH:8]1>>[Cl:2][c:3]1[c:4]([S:21][C:22]2([C:25]([O:26][CH3:30])=[O:27])[CH2:23][CH2:24]2)[cH:5][c:6]([N:10]2[C:11](=[O:20])[C:12]3=[CH:13][CH2:14][CH2:15][CH2:16][CH:17]3[C:18]2=[O:19])[c:7]([F:9])[cH:8]1

Participants

6

Reactant 5

HCID 312ChlorideHCID 887MethanolHCID 6584Methyl AcetateHCID 8471TriethylamineHCID 678545381-[2-Chloro-4-fluoro-5-(1,2,3,4,5,6-hexahydro-1,3-dioxo-isoindolyl)-phenylthio]-cyclopropanecarboxylic acid

Product 1

HCID 678545431-[2-Chloro-4-fluoro-5-(1,2,3,4,5,6-hexahydro-1,3-dioxo-isoindolyl)-phenylthio]-cyclopropanecarboxylic acid methyl ester

Sources & evidence

ORD record
ord-24a9e24ef92f4967b68111c203c1888f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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