Potassium Cation → 6-(2-Amino-6-chloro-pyrimidin-4-yloxy)-benzo[d]isothiazole-3-carboxylic acid [4-(4-methyl-piperazin-1-ylmethyl)-3-trifluoromethyl-phenyl]-amide

HRID 2153615Notes

Reaction equation

HRID 2153615 reaction equation
[CH3:10][N:11]1[CH2:12][CH2:13][N:14]([CH2:17][c:18]2[c:19]([C:37]([F:38])([F:39])[F:40])[cH:20][c:21]([NH:24][C:25](=[O:26])[c:27]3[n:28][s:29][c:30]4[c:31]3[cH:32][cH:33][c:34]([OH:36])[cH:35]4)[cH:22][cH:23]2)[CH2:15][CH2:16]1.[CH3:49][N:50]1[CH2:51][CH2:52][CH2:53][C:54]1=[O:55].[K+:46].[K+:47].[K+:48].[NH2:1][c:2]1[n:3][c:4]([Cl:9])[cH:5][c:6]([Cl:8])[n:7]1.[P:41]([O-:42])([O-:43])([O-:44])=[O:45]>>[NH2:1][c:2]1[n:3][c:4]([Cl:9])[cH:5][c:6]([O:36][c:34]2[cH:33][cH:32][c:31]3[c:27]([C:25]([NH:24][c:21]4[cH:20][c:19]([C:37]([F:38])([F:39])[F:40])[c:18]([CH2:17][N:14]5[CH2:13][CH2:12][N:11]([CH3:10])[CH2:16][CH2:15]5)[cH:23][cH:22]4)=[O:26])[n:28][s:29][c:30]3[cH:35]2)[n:7]1

Participants

6

Reactant 5

HCID 813Potassium Cation3×HCID 1061PhosphateHCID 13387N-methyl-2-pyrrolidoneHCID 655222-Amino-4,6-dichloropyrimidineHCID 136346629HCID 136346629, compound

Product 1

HCID 866266266-(2-Amino-6-chloro-pyrimidin-4-yloxy)-benzo[d]isothiazole-3-carboxylic acid [4-(4-methyl-piperazin-1-ylmethyl)-3-trifluoromethyl-phenyl]-amide

Sources & evidence

ORD record
ord-7fefdb0be7b44848a41d3d70953fa939
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…