Potassium Cation → 3-(8-(2,4-Difluorophenyl)-2-{[2-hydroxy-1-(hydroxymethyl)ethyl]amino}-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-4-yl)benzoic acid

HRID 1572874Notes

Reaction equation

HRID 1572874 reaction equation
[Cl:128][CH2:129][Cl:130].[Cl:1][c:2]1[c:3]2[c:4]([n:5][c:6]([NH:8][CH:9]([CH2:10][OH:11])[CH2:12][OH:13])[n:7]1)[n:14](-[c:19]1[c:20]([F:26])[cH:21][c:22]([F:25])[cH:23][cH:24]1)[c:15](=[O:18])[cH:16][cH:17]2.[K+:39].[K+:40].[O-:41][C:42]([O-:43])=[O:44].[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1.[OH2:131].[OH:27][B:28]([c:29]1[cH:30][c:31]([C:32](=[O:33])[OH:34])[cH:35][cH:36][cH:37]1)[OH:38].[cH:51]1[cH:52][cH:53][c:54]([P:55]([Pd:56]([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[P:95]([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[cH:126][cH:127]1>>[c:2]1(-[c:29]2[cH:30][c:31]([C:32](=[O:33])[OH:34])[cH:35][cH:36][cH:37]2)[c:3]2[c:4]([n:5][c:6]([NH:8][CH:9]([CH2:10][OH:11])[CH2:12][OH:13])[n:7]1)[n:14](-[c:19]1[c:20]([F:26])[cH:21][c:22]([F:25])[cH:23][cH:24]1)[c:15](=[O:18])[cH:16][cH:17]2

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 962WaterHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 27339573-Carboxyphenylboronic acidHCID 119515164-chloro-8-(2,4-difluorophenyl)-2-{[2-hydroxy-1-(hydroxymethyl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-oneHCID 178420554HCID 178420554, compound

Product 1

HCID 592127373-(8-(2,4-Difluorophenyl)-2-{[2-hydroxy-1-(hydroxymethyl)ethyl]amino}-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-4-yl)benzoic acid

Sources & evidence

ORD record
ord-aa13a7c341b7462cb6d443e6869d8828
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…