1,2-Dichloroethane → 1-(2-Chloro-4-fluoro-5-isothiocyanato-phenylthio)-cyclopropanecarboxylic acid methyl ester

HRID 2336135Notes

Reaction equation

HRID 2336135 reaction equation
[CH2:27]([Cl:28])[CH2:29][Cl:30].[CH3:1][O:2][C:3](=[O:4])[C:5]1([S:8][c:9]2[c:10]([Cl:17])[cH:11][c:12]([F:16])[c:13]([NH2:15])[cH:14]2)[CH2:6][CH2:7]1.[Ca+2:18].[Cl:23][C:24]([Cl:25])=[S:26].[O-:19][C:20](=[O:21])[O-:22].[OH2:31]>>[CH3:1][O:2][C:3](=[O:4])[C:5]1([S:8][c:9]2[c:10]([Cl:17])[cH:11][c:12]([F:16])[c:13]([N:15]=[C:24]=[S:26])[cH:14]2)[CH2:6][CH2:7]1

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 271Calcium CationHCID 962WaterHCID 10040ThiophosgeneHCID 19660Carbonate IonHCID 54364994HCID 54364994, compound

Product 1

HCID 545373801-(2-Chloro-4-fluoro-5-isothiocyanato-phenylthio)-cyclopropanecarboxylic acid methyl ester

Sources & evidence

ORD record
ord-f83f9e2494134f1ebda99a0fa30a9c45
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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