Potassium Cation → 2-(2-Fluoro-4-methylsulfanyl-phenylamino)-6-formylaminomethyl-nicotinic acid methyl ester
Reaction equation
[CH3:1][O:2][C:3]([c:4]1[c:5]([Cl:14])[n:6][c:7]([CH2:10][NH:11][CH:12]=[O:13])[cH:8][cH:9]1)=[O:15].[CH3:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[CH:34]1([P:35]([CH:36]2[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]2-[c:48]2[c:49]([O:50][CH:51]([CH3:52])[CH3:53])[cH:54][cH:55][cH:56][c:57]2[O:58][CH:59]([CH3:60])[CH3:61])[CH2:62][CH2:63][CH2:64][CH2:65][CH2:66]1.[F:24][c:25]1[c:26]([NH2:33])[cH:27][cH:28][c:29]([S:31][CH3:32])[cH:30]1.[K+:21].[K+:22].[K+:23].[O:112]=[C:113]([CH:114]=[CH:115][c:116]1[cH:117][cH:118][cH:119][cH:120][cH:121]1)[CH:122]=[CH:123][c:124]1[cH:125][cH:126][cH:127][cH:128][cH:129]1.[O:76]=[C:77]([CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1)[CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1.[O:94]=[C:95]([CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1)[CH:104]=[CH:105][c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1.[P:16]([O-:17])([O-:18])([O-:19])=[O:20].[Pd:74].[Pd:75]>>[CH3:1][O:2][C:3]([c:4]1[c:5]([NH:33][c:26]2[c:25]([F:24])[cH:30][c:29]([S:31][CH3:32])[cH:28][cH:27]2)[n:6][c:7]([CH2:10][NH:11][CH:12]=[O:13])[cH:8][cH:9]1)=[O:15]Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-218b5bc26e4242cda233499691a19ef3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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