Dimethylformamide → 6-chloro-3-(4-ethylphenylamino)-N-(pyrimidin-5-yl)benzo[d]isoxazole-7-carboxamide

HRID 1143900Notes

Reaction equation

HRID 1143900 reaction equation
[Cl:1][c:2]1[c:3]([C:20](=[O:21])[OH:22])[c:4]2[c:5]([c:6]([NH:9][c:10]3[cH:11][cH:12][c:13]([CH2:16][CH3:17])[cH:14][cH:15]3)[n:7][o:8]2)[cH:18][cH:19]1.[NH2:47][c:48]1[cH:49][n:50][cH:51][n:52][cH:53]1.[O:54]=[CH:55][N:56]([CH3:57])[CH3:58].[P-:23]([F:24])([F:25])([F:26])([F:27])([F:28])[F:29].[n:30]1([O:31][C:32]([N:33]([CH3:34])[CH3:35])=[N+:36]([CH3:37])[CH3:38])[c:39]2[n:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[Cl:1][c:2]1[c:3]([C:20](=[O:21])[NH:47][c:48]2[cH:49][n:50][cH:51][n:52][cH:53]2)[c:4]2[c:5]([c:6]([NH:9][c:10]3[cH:11][cH:12][c:13]([CH2:16][CH3:17])[cH:14][cH:15]3)[n:7][o:8]2)[cH:18][cH:19]1

Participants

6

Reactant 5

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 344373Pyrimidin-5-amineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 598058146-Chloro-3-(4-ethylphenylamino)benzo[d]isoxazole-7-carboxylic acid

Product 1

HCID 250692846-chloro-3-(4-ethylphenylamino)-N-(pyrimidin-5-yl)benzo[d]isoxazole-7-carboxamide

Sources & evidence

ORD record
ord-e64e7c30d55b499b9f1b81f5fb0b2bfb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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