Hydrochloric Acid → 5-(4-chlorophenyl)-N-(2-cyclohexyl-2-oxoethyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide

HRID 321871Notes

Reaction equation

HRID 321871 reaction equation
[CH2:78]1[O:79][CH2:80][CH2:81][O:82][CH2:83]1.[CH3:54][CH2:55][N:56]=[C:57]=[N:58][CH2:59][CH2:60][CH2:61][N:62]([CH3:63])[CH3:64].[CH:1]1([C:7]([CH2:8][NH:9][C:10]([O:11][C:12]([CH3:13])([CH3:14])[CH3:15])=[O:16])=[O:17])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Cl:30][c:31]1[cH:32][cH:33][c:34](-[c:37]2[c:38]([CH3:53])[c:39]([C:50]([OH:51])=[O:52])[n:40][n:41]2-[c:42]2[c:43]([Cl:49])[cH:44][c:45]([Cl:48])[cH:46][cH:47]2)[cH:35][cH:36]1.[Cl:75][CH2:76][Cl:77].[ClH:18].[ClH:19].[NH2:20][CH2:21][C:22]([CH:23]1[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]1)=[O:29].[O:84]=[CH:85][N:86]([CH3:87])[CH3:88].[OH:65][n:66]1[c:67]2[c:68]([cH:69][cH:70][cH:71][cH:72]2)[n:73][n:74]1>>[CH:1]1([C:7]([CH2:8][NH:9][C:10](=[O:16])[c:39]2[c:38]([CH3:53])[c:37](-[c:34]3[cH:33][cH:32][c:31]([Cl:30])[cH:36][cH:35]3)[n:41](-[c:42]3[c:43]([Cl:49])[cH:44][c:45]([Cl:48])[cH:46][cH:47]3)[n:40]2)=[O:17])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

10

Reactant 9

HCID 313Hydrochloric Acid2×HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 312751,4-DioxaneHCID 757711-HydroxybenzotriazoleHCID 15194215-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acidHCID 205192082-Amino-1-cyclohexylethan-1-oneHCID 58430272tert-butyl N-(2-cyclohexyl-2-oxoethyl)carbamate

Product 1

HCID 668447715-(4-chlorophenyl)-N-(2-cyclohexyl-2-oxoethyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide

Sources & evidence

ORD record
ord-74b7dac88f8f4ec0848d09276a96451b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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