Dimethylformamide → N-[3-(2-Methyl-2H-pyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)-phenyl]-4-trifluoromethyl-benzamide

HRID 212717Notes

Reaction equation

HRID 212717 reaction equation
[CH3:1][n:2]1[n:3][cH:4][cH:5][c:6]1-[c:7]1[cH:8][c:9]([NH2:21])[cH:10][cH:11][c:12]1[O:13][CH2:14][CH2:15][N:16]1[CH2:17][CH2:18][CH2:19][CH2:20]1.[CH3:59][CH2:60][N:61]([CH2:62][CH3:63])[CH2:64][CH3:65].[F:22][C:23]([c:24]1[cH:25][cH:26][c:27]([C:28](=[O:29])[OH:30])[cH:31][cH:32]1)([F:33])[F:34].[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[P-:35]([F:36])([F:37])([F:38])([F:39])([F:40])[F:41].[n:42]1([O:43][C:44]([N:45]([CH3:46])[CH3:47])=[N+:48]([CH3:49])[CH3:50])[c:51]2[n:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[CH3:1][n:2]1[n:3][cH:4][cH:5][c:6]1-[c:7]1[cH:8][c:9]([NH:21][C:28]([c:27]2[cH:26][cH:25][c:24]([C:23]([F:22])([F:33])[F:34])[cH:32][cH:31]2)=[O:29])[cH:10][cH:11][c:12]1[O:13][CH2:14][CH2:15][N:16]1[CH2:17][CH2:18][CH2:19][CH2:20]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 99664-(Trifluoromethyl)benzoic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 468324843-(1-methyl-1H-pyrazol-5-yl)-4-(2-(pyrrolidin-1-yl)ethoxy)benzenamine

Product 1

HCID 11719524N-[3-(2-Methyl-2H-pyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)-phenyl]-4-trifluoromethyl-benzamide

Sources & evidence

ORD record
ord-5648dad609cf487bab55a8c3ca82bed2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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