Dimethylformamide → 1-[4-(4-Chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-5-(morpholin-4-ylmethyl)-3-(trifluoromethyl)pyrazol-1-yl]ethanone

HRID 690377Notes

Reaction equation

HRID 690377 reaction equation
[CH3:61][CH2:62][O:63][C:64]([CH3:65])=[O:66].[Cl:16][c:17]1[c:18]([C:33]([F:34])([F:35])[F:36])[n:19][n:20]([CH2:29][C:30](=[O:31])[OH:32])[c:21]1[CH2:22][N:23]1[CH2:24][CH2:25][O:26][CH2:27][CH2:28]1.[Cl:1][c:2]1[c:3]([O:14][CH3:15])[cH:4][c:5]([N:8]2[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]2)[cH:6][cH:7]1.[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[P-:37]([F:38])([F:39])([F:40])([F:41])([F:42])[F:43].[n:44]1([O:45][C:46]([N:47]([CH3:48])[CH3:49])=[N+:50]([CH3:51])[CH3:52])[c:53]2[n:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]1>>[Cl:1][c:2]1[c:3]([O:14][CH3:15])[cH:4][c:5]([N:8]2[CH2:9][CH2:10][N:11]([C:30]([CH2:29][n:20]3[n:19][c:18]([C:33]([F:34])([F:35])[F:36])[c:17]([Cl:16])[c:21]3[CH2:22][N:23]3[CH2:24][CH2:25][O:26][CH2:27][CH2:28]3)=[O:31])[CH2:12][CH2:13]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 210710241-(4-Chloro-3-methoxyphenyl)piperazineHCID 686528442-[4-Chloro-5-(morpholin-4-ylmethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetic acid

Product 1

HCID 578401971-[4-(4-Chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-5-(morpholin-4-ylmethyl)-3-(trifluoromethyl)pyrazol-1-yl]ethanone

Sources & evidence

ORD record
ord-621f7ccf41a44c24aa78623dca6fbdf7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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