Ammonium → 1-(2,6-dichloro-4-trifluoromethylphenyl)-3-cyano-5-[N-ethoxycarbonyl-N-(3-ethylthiopropyl)amino]-4-trifluoromethylsulfonylpyrazole

HRID 164506Notes

Reaction equation

HRID 164506 reaction equation
[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[Cl-:42].[Cl:36][C:37](=[O:38])[O:39][CH2:40][CH3:41].[Cl:3][c:4]1[c:5](-[n:15]2[n:16][c:17]([C:34]#[N:35])[c:18]([S:27](=[O:28])(=[O:29])[C:30]([F:31])([F:32])[F:33])[c:19]2[NH:20][CH2:21][CH2:22][CH2:23][S:24][CH2:25][CH3:26])[c:6]([Cl:14])[cH:7][c:8]([C:10]([F:11])([F:12])[F:13])[cH:9]1.[H-:1].[NH4+:43].[Na+:2].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1>>[Cl:3][c:4]1[c:5](-[n:15]2[n:16][c:17]([C:34]#[N:35])[c:18]([S:27](=[O:28])(=[O:29])[C:30]([F:31])([F:32])[F:33])[c:19]2[N:20]([CH2:21][CH2:22][CH2:23][S:24][CH2:25][CH3:26])[C:37](=[O:38])[O:39][CH2:40][CH3:41])[c:6]([Cl:14])[cH:7][c:8]([C:10]([F:11])([F:12])[F:13])[cH:9]1

Participants

9

Reactant 8

HCID 223AmmoniumHCID 312ChlorideHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 10928Ethyl chloroformateHCID 166653HydrideHCID 866002281-(2,6-Dichloro-4-trifluoromethylphenyl)-3-cyano-5-(3-ethylthiopropylamino)-4-trifluoromethylsulfonylpyrazole

Product 1

HCID 866002311-(2,6-dichloro-4-trifluoromethylphenyl)-3-cyano-5-[N-ethoxycarbonyl-N-(3-ethylthiopropyl)amino]-4-trifluoromethylsulfonylpyrazole

Sources & evidence

ORD record
ord-ce2242f3790c460f9330a70c09b1d60b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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