Methanol → 2-Fluoro-N-(1-{[4-iodo-2-(trifluoromethyl)phenyl]methyl}-1H-pyrazol-3-yl)benzamide

HRID 692383Notes

Reaction equation

HRID 692383 reaction equation
[CH3:67][OH:68].[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[I:44][c:45]1[cH:46][c:47]([C:58]([F:59])([F:60])[F:61])[c:48]([CH2:51][n:52]2[n:53][c:54]([NH2:57])[cH:55][cH:56]2)[cH:49][cH:50]1.[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[OH:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][c:9]1[F:10].[P-:11]([F:12])([F:13])([F:14])([F:15])([F:16])[F:17].[n:18]1([O:19][C:20]([N:21]([CH3:22])[CH3:23])=[N+:24]([CH3:25])[CH3:26])[c:27]2[n:28][cH:29][cH:30][cH:31][c:32]2[n:33][n:34]1>>[C:2](=[O:3])([c:4]1[cH:5][cH:6][cH:7][cH:8][c:9]1[F:10])[NH:57][c:54]1[n:53][n:52]([CH2:51][c:48]2[c:47]([C:58]([F:59])([F:60])[F:61])[cH:46][c:45]([I:44])[cH:50][cH:49]2)[cH:56][cH:55]1

Participants

8

Reactant 7

HCID 887MethanolHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 99352-Fluorobenzoic acidHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 595478541-{[4-Iodo-2-(trifluoromethyl)phenyl]methyl}-1H-pyrazol-3-amine

Product 1

HCID 469447812-Fluoro-N-(1-{[4-iodo-2-(trifluoromethyl)phenyl]methyl}-1H-pyrazol-3-yl)benzamide

Sources & evidence

ORD record
ord-38f42ca0e9f84201932ec914038fd2b4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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