Carbonate Ion → Ethyl 6-(6-(3-ethylureido)-4-(4-(trifluoromethyl)thiazol-2-yl)pyridin-3-yl)-1-(2-methoxyethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate

HRID 1236209Notes

Reaction equation

HRID 1236209 reaction equation
[C:52](=[O:53])([O-:54])[O-:55].[CH2:1]([CH3:2])[NH:3][C:4](=[O:5])[NH:6][c:7]1[n:8][cH:9][c:10]([B:22]2[O:23][C:24]([CH3:25])([CH3:26])[C:27]([CH3:28])([CH3:29])[O:30]2)[c:11](-[c:13]2[s:14][cH:15][c:16]([C:18]([F:19])([F:20])[F:21])[n:17]2)[cH:12]1.[Cs+:56].[Cs+:57].[I:31][c:32]1[cH:33][c:34]2[c:35](=[O:51])[c:36]([C:46](=[O:47])[O:48][CH2:49][CH3:50])[cH:37][n:38]([CH2:42][CH2:43][O:44][CH3:45])[c:39]2[cH:40][cH:41]1.[O:58]1[CH2:59][CH2:60][O:61][CH2:62][CH2:63]1.[cH:64]1[cH:65][cH:66][c:67]([P:68]([Pd:69]([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([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)([P:89]([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)([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)[P:108]([c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)([c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)([c:127]2[cH:128][cH:129][cH:130][cH:131][cH:132]2)[c:133]2[cH:134][cH:135][cH:136][cH:137][cH:138]2)[cH:139][cH:140]1>>[CH2:1]([CH3:2])[NH:3][C:4](=[O:5])[NH:6][c:7]1[n:8][cH:9][c:10](-[c:32]2[cH:33][c:34]3[c:35](=[O:51])[c:36]([C:46](=[O:47])[O:48][CH2:49][CH3:50])[cH:37][n:38]([CH2:42][CH2:43][O:44][CH3:45])[c:39]3[cH:40][cH:41]2)[c:11](-[c:13]2[s:14][cH:15][c:16]([C:18]([F:19])([F:20])[F:21])[n:17]2)[cH:12]1

Participants

7

Reactant 6

HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 592084681-Ethyl-3-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(4-(trifluoromethyl)thiazol-2-yl)pyridin-2-yl)ureaHCID 59208478Ethyl 6-iodo-1-[2-(methyloxy)ethyl]-4-oxo-1,4-dihydro-3-quinolinecarboxylateHCID 178420554HCID 178420554, compound

Product 1

HCID 59416012Ethyl 6-(6-(3-ethylureido)-4-(4-(trifluoromethyl)thiazol-2-yl)pyridin-3-yl)-1-(2-methoxyethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate

Sources & evidence

ORD record
ord-24f0eafe3758461caa6f481df8d76d86
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…