Dimethyl Sulfoxide → N-(3-methyl-4-((3-(2-((4-(4-methyl-1-piperazinyl)phenyl)amino)-4-pyrimidinyl)-2-pyridinyl)oxy)phenyl)-3-(trifluoromethyl)benzamide

HRID 316752Notes

Reaction equation

HRID 316752 reaction equation
[C:49](=[O:50])([O-:51])[O-:52].[CH3:55][S:56]([CH3:57])=[O:58].[Cl:1][c:2]1[n:3][cH:4][cH:5][cH:6][c:7]1-[c:8]1[n:9][c:10]([NH:14][c:15]2[cH:16][cH:17][c:18]([N:21]3[CH2:22][CH2:23][N:24]([CH3:27])[CH2:25][CH2:26]3)[cH:19][cH:20]2)[n:11][cH:12][cH:13]1.[Cs+:53].[Cs+:54].[OH:28][c:29]1[c:30]([CH3:48])[cH:31][c:32]([NH:35][C:36]([c:37]2[cH:38][c:39]([C:43]([F:44])([F:45])[F:46])[cH:40][cH:41][cH:42]2)=[O:47])[cH:33][cH:34]1>>[c:2]1([O:28][c:29]2[c:30]([CH3:48])[cH:31][c:32]([NH:35][C:36]([c:37]3[cH:38][c:39]([C:43]([F:44])([F:45])[F:46])[cH:40][cH:41][cH:42]3)=[O:47])[cH:33][cH:34]2)[n:3][cH:4][cH:5][cH:6][c:7]1-[c:8]1[n:9][c:10]([NH:14][c:15]2[cH:16][cH:17][c:18]([N:21]3[CH2:22][CH2:23][N:24]([CH3:27])[CH2:25][CH2:26]3)[cH:19][cH:20]2)[n:11][cH:12][cH:13]1

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 58396799N-(4-hydroxy-3-methylphenyl)-3-(trifluoromethyl)benzamideHCID 585881954-(2-chloropyridin-3-yl)-N-(4-(4-methylpiperazin-1-yl)phenyl)pyrimidin-2-amine

Product 1

HCID 58587852N-(3-methyl-4-((3-(2-((4-(4-methyl-1-piperazinyl)phenyl)amino)-4-pyrimidinyl)-2-pyridinyl)oxy)phenyl)-3-(trifluoromethyl)benzamide

Sources & evidence

ORD record
ord-baa408134a7f4d97a67959769ce30b72
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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