Dichloromethane → Fipronil

HRID 2332483Notes

Reaction equation

HRID 2332483 reaction equation
[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[Cl:26][c:27]1[cH:28][cH:29][cH:30][c:31]([C:32]([O:33][OH:35])=[O:34])[cH:36]1.[Cl:37][CH2:38][Cl:39].[NH2:1][c:2]1[c:3]([S:21][C:22]([F:23])([F:24])[F:25])[c:4]([C:19]#[N:20])[n:5][n:6]1-[c:7]1[c:8]([Cl:18])[cH:9][c:10]([C:14]([F:15])([F:16])[F:17])[cH:11][c:12]1[Cl:13]>>[NH2:1][c:2]1[c:3]([S:21]([C:22]([F:23])([F:24])[F:25])=[O:34])[c:4]([C:19]#[N:20])[n:5][n:6]1-[c:7]1[c:8]([Cl:18])[cH:9][c:10]([C:14]([F:15])([F:16])[F:17])[cH:11][c:12]1[Cl:13]

Participants

5

Reactant 4

HCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 70297m-Chloroperbenzoic acidHCID 9953940Fipronil sulfide

Product 1

HCID 3352Fipronil

Sources & evidence

ORD record
ord-902b905608ff49e8866558a3d5c90c22
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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