Sodium ion → [5-(2-fluoro-1-fluoromethyl-1-methyl-ethyl)-2-p-tolyl-2H-pyrazol-3-yl]-carbamic acid 2,2,2-trichloro-ethyl ester

HRID 677801Notes

Reaction equation

HRID 677801 reaction equation
[CH2:36]1[O:37][CH2:38][CH2:39][CH2:40]1.[Cl:1][C:2](=[O:3])[O:4][CH2:5][C:6]([Cl:7])([Cl:8])[Cl:9].[F:16][CH2:17][C:18]([CH3:19])([CH2:20][F:21])[c:22]1[cH:23][c:24]([NH2:34])[n:25](-[c:27]2[cH:28][cH:29][c:30]([CH3:33])[cH:31][cH:32]2)[n:26]1.[Na+:10].[Na+:11].[O-:12][C:13](=[O:14])[O-:15].[OH2:35]>>[C:2](=[O:3])([O:4][CH2:5][C:6]([Cl:7])([Cl:8])[Cl:9])[NH:34][c:24]1[cH:23][c:22]([C:18]([CH2:17][F:16])([CH3:19])[CH2:20][F:21])[n:26][n:25]1-[c:27]1[cH:28][cH:29][c:30]([CH3:33])[cH:31][cH:32]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 870632,2,2-Trichloroethyl chloroformateHCID 685380205-(2-fluoro-1-fluoromethyl-1-methyl-ethyl)-2-p-tolyl-2H-pyrazol-3-ylamine

Product 1

HCID 68538054[5-(2-fluoro-1-fluoromethyl-1-methyl-ethyl)-2-p-tolyl-2H-pyrazol-3-yl]-carbamic acid 2,2,2-trichloro-ethyl ester

Sources & evidence

ORD record
ord-b6b8eca9aa9442ad809a995af6af0e3d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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