Potassium Cation → 6-[2-chloro-4-(thiophen-2-yl)phenyl]-8-ethyl-2-(4-(4-methylpiperazin-1-yl)phenylamino)pyrido[2,3-d]pyrimidin-7(8H)-one

HRID 163591Notes

Reaction equation

HRID 163591 reaction equation
[Br:1][c:2]1[cH:3][c:4]([Cl:35])[c:5](-[c:8]2[cH:9][c:10]3[c:11]([n:12][c:13]([NH:16][c:17]4[cH:18][cH:19][c:20]([N:23]5[CH2:24][CH2:25][N:26]([CH3:29])[CH2:27][CH2:28]5)[cH:21][cH:22]4)[n:14][cH:15]3)[n:30]([CH2:33][CH3:34])[c:31]2=[O:32])[cH:6][cH:7]1.[K+:49].[K+:50].[K+:51].[P:44]([O-:45])([O-:46])([O-:47])=[O:48].[s:36]1[c:37]([B:41]([OH:42])[OH:43])[cH:38][cH:39][cH:40]1>>[c:2]1(-[c:37]2[s:36][cH:40][cH:39][cH:38]2)[cH:3][c:4]([Cl:35])[c:5](-[c:8]2[cH:9][c:10]3[c:11]([n:12][c:13]([NH:16][c:17]4[cH:18][cH:19][c:20]([N:23]5[CH2:24][CH2:25][N:26]([CH3:29])[CH2:27][CH2:28]5)[cH:21][cH:22]4)[n:14][cH:15]3)[n:30]([CH2:33][CH3:34])[c:31]2=[O:32])[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 813Potassium Cation3×HCID 1061PhosphateHCID 27339602-Thiopheneboronic acidHCID 671196306-(4-Bromo-2-chlorophenyl)-8-ethyl-2-(4-(4-methylpiperazin-1-yl)phenylamino)pyrido[2,3-d]pyrimidin-7(8H)-one

Product 1

HCID 671196146-[2-chloro-4-(thiophen-2-yl)phenyl]-8-ethyl-2-(4-(4-methylpiperazin-1-yl)phenylamino)pyrido[2,3-d]pyrimidin-7(8H)-one

Sources & evidence

ORD record
ord-c5619735c4764eb4a5f79621ef5b9421
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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