Potassium Cation → 3-[8-(2,6-Difluorophenyl)-2-(methylthio)-7-oxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]-4-methylbenzoic acid
Reaction equation
[CH3:23][c:24]1[c:25]([B:33]2[O:34][C:35]([CH3:36])([CH3:37])[C:38]([CH3:39])([CH3:40])[O:41]2)[cH:26][c:27]([C:28](=[O:29])[OH:30])[cH:31][cH:32]1.[Cl:1][c:2]1[c:3]2[c:4]([n:5][c:6]([S:8][CH3:9])[n:7]1)[N:10]([c:15]1[c:16]([F:22])[cH:17][cH:18][cH:19][c:20]1[F:21])[C:11](=[O:14])[NH:12][CH2:13]2.[K+:42].[K+:43].[O-:44][C:45]([O-:46])=[O:47].[O:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1.[OH2:131].[cH:54]1[cH:55][cH:56][c:57]([P:58]([Pd:59]([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([P:79]([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[P:98]([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)([c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[cH:129][cH:130]1>>[c:2]1(-[c:25]2[c:24]([CH3:23])[cH:32][cH:31][c:27]([C:28](=[O:29])[OH:30])[cH:26]2)[c:3]2[c:4]([n:5][c:6]([S:8][CH3:9])[n:7]1)[N:10]([c:15]1[c:16]([F:22])[cH:17][cH:18][cH:19][c:20]1[F:21])[C:11](=[O:14])[NH:12][CH2:13]2Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-885e5acde50e4746b507fe8dea9bb442
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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