Dimethylformamide → N-[1-({5-[(2-acetylhydrazino)carbonyl]-2-chlorophenyl}methyl)-1H-pyrazol-3-yl]-2,6-difluorobenzamide

HRID 170135Notes

Reaction equation

HRID 170135 reaction equation
[CH3:28][C:29](=[O:30])[NH:31][NH2:32].[CH:57]([N:58]([CH2:59][CH3:60])[CH:61]([CH3:62])[CH3:63])([CH3:64])[CH3:65].[Cl:1][c:2]1[c:3]([CH2:11][n:12]2[n:13][c:14]([NH:17][C:18](=[O:19])[c:20]3[c:21]([F:27])[cH:22][cH:23][cH:24][c:25]3[F:26])[cH:15][cH:16]2)[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1.[Cl:71][CH2:72][Cl:73].[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[P-:33]([F:34])([F:35])([F:36])([F:37])([F:38])[F:39].[n:40]1([O:41][C:42]([N:43]([CH3:44])[CH3:45])=[N+:46]([CH3:47])[CH3:48])[c:49]2[n:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[Cl:1][c:2]1[c:3]([CH2:11][n:12]2[n:13][c:14]([NH:17][C:18](=[O:19])[c:20]3[c:21]([F:27])[cH:22][cH:23][cH:24][c:25]3[F:26])[cH:15][cH:16]2)[cH:4][c:5]([C:6](=[O:7])[NH:32][NH:31][C:29]([CH3:28])=[O:30])[cH:9][cH:10]1

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 14039AcetohydrazideHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 595479654-Chloro-3-[(3-{[(2,6-difluorophenyl)carbonyl]amino}-1H-pyrazol-1-yl)methyl]benzoic acid

Product 1

HCID 59547995N-[1-({5-[(2-acetylhydrazino)carbonyl]-2-chlorophenyl}methyl)-1H-pyrazol-3-yl]-2,6-difluorobenzamide

Sources & evidence

ORD record
ord-b12c1f6e093342bc88ae46c0479d3312
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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