Water → 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-[methyl({[(1-phenylethylidene)amino]oxy}carbonyl)amino]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile

HRID 2156986Notes

Reaction equation

HRID 2156986 reaction equation
[C:28]([CH3:29])([c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)=[N:36][OH:37].[C:66]([O:67][CH2:68][CH3:69])(=[O:70])[CH3:71].[CH3:51][N:52]([CH3:53])[c:54]1[cH:55][cH:56][n:57][cH:58][cH:59]1.[CH3:72][CH2:73][CH2:74][CH2:75][CH2:76][CH2:77][CH3:78].[CH3:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1.[CH:38]([N:39]([CH:40]([CH3:41])[CH3:42])[CH2:43][CH3:44])([CH3:45])[CH3:46].[Cl:1][c:2]1[c:3](-[n:13]2[n:14][c:15]([C:26]#[N:27])[c:16]([S:20](=[O:21])[C:22]([F:23])([F:24])[F:25])[c:17]2[NH:18][CH3:19])[c:4]([Cl:12])[cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1.[Cl:47][C:48]([Cl:49])=[O:50].[O:60]1[CH2:61][CH2:62][CH2:63][CH2:64]1.[OH2:65]>>[Cl:1][c:2]1[c:3](-[n:13]2[n:14][c:15]([C:26]#[N:27])[c:16]([S:20](=[O:21])[C:22]([F:23])([F:24])[F:25])[c:17]2[N:18]([CH3:19])[C:48]([O:37][N:36]=[C:28]([CH3:29])[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)=[O:50])[c:4]([Cl:12])[cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1

Participants

11

Reactant 10

HCID 962WaterHCID 1140TolueneHCID 6371PhosgeneHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 8900HeptaneHCID 142844-(Dimethylamino)pyridineHCID 69185AcetophenonoximeHCID 81531DiisopropylethylamineHCID 114308641-(2,6-Dichloro-4-trifluoromethylphenyl)-3-cyano-5-methylamino-4-trifluoromethylsulfinylpyrazole

Product 1

HCID 866260671-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-[methyl({[(1-phenylethylidene)amino]oxy}carbonyl)amino]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile

Sources & evidence

ORD record
ord-cd959022428f4dd9bfc8bf31da50af3b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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