Dimethylformamide → 5-(2,5-difluorobenzyl)-N-(2-(5-(trifluoromethyl)-1H-indol-3-yl)ethyl)isoxazole-3-carboxamide

HRID 1128589Notes

Reaction equation

HRID 1128589 reaction equation
[F:18][C:19]([c:20]1[cH:21][c:22]2[c:23]([CH2:29][CH2:30][NH2:31])[cH:24][nH:25][c:26]2[cH:27][cH:28]1)([F:32])[F:33].[F:1][c:2]1[c:3]([CH2:4][c:5]2[cH:6][c:7]([C:10](=[O:11])[OH:12])[n:8][o:9]2)[cH:13][c:14]([F:17])[cH:15][cH:16]1.[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[P-:34]([F:35])([F:36])([F:37])([F:38])([F:39])[F:40].[n:41]1([O:42][C:43]([N:44]([CH3:45])[CH3:46])=[N+:47]([CH3:48])[CH3:49])[c:50]2[n:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[F:1][c:2]1[c:3]([CH2:4][c:5]2[cH:6][c:7]([C:10](=[O:12])[NH:31][CH2:30][CH2:29][c:23]3[c:22]4[cH:21][c:20]([C:19]([F:18])([F:32])[F:33])[cH:28][cH:27][c:26]4[nH:25][cH:24]3)[n:8][o:9]2)[cH:13][c:14]([F:17])[cH:15][cH:16]1

Participants

6

Reactant 5

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 120301362-(5-(trifluoromethyl)-1H-indol-3-yl)ethanamineHCID 668320395-(2,5-Difluorobenzyl)isoxazole-3-carboxylic acid

Product 1

HCID 668318995-(2,5-difluorobenzyl)-N-(2-(5-(trifluoromethyl)-1H-indol-3-yl)ethyl)isoxazole-3-carboxamide

Sources & evidence

ORD record
ord-076b3af1b0e444139a7bbc6f30a9b2e6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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