Bicarbonate Ion → Ethyl 1-(1-methylazetidin-3-yl)-4-oxo-6-(6-(3-propylureido)-4-(4-(trifluoromethyl)thiazol-2-yl)pyridin-3-yl)-1,4-dihydroquinoline-3-carboxylate

HRID 2320780Notes

Reaction equation

HRID 2320780 reaction equation
[C:48](=[O:49])([OH:50])[O-:51].[CH2:23]([CH2:24][CH3:25])[NH:26][C:27]([NH:28][c:29]1[cH:30][c:31](-[c:38]2[s:39][cH:40][c:41]([C:43]([F:44])([F:45])[F:46])[n:42]2)[c:32]([B:35]([OH:36])[OH:37])[cH:33][n:34]1)=[O:47].[CH2:53]([CH2:54][O:55][CH3:56])[O:57][CH3:58].[I:1][c:2]1[cH:3][c:4]2[c:5](=[O:22])[c:6]([C:17](=[O:18])[O:19][CH2:20][CH3:21])[cH:7][n:8]([CH:12]3[CH2:13][N:14]([CH3:16])[CH2:15]3)[c:9]2[cH:10][cH:11]1.[Na+:52].[Pd:59]([Cl:60])[Cl:61].[c:62]1([P:63]([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)[cH:76][cH:77][cH:78][cH:79][cH:80]1.[c:81]1([P:82]([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)[cH:95][cH:96][cH:97][cH:98][cH:99]1>>[c:2]1(-[c:32]2[c:31](-[c:38]3[s:39][cH:40][c:41]([C:43]([F:44])([F:45])[F:46])[n:42]3)[cH:30][c:29]([NH:28][C:27]([NH:26][CH2:23][CH2:24][CH3:25])=[O:47])[n:34][cH:33]2)[cH:3][c:4]2[c:5](=[O:22])[c:6]([C:17](=[O:18])[O:19][CH2:20][CH3:21])[cH:7][n:8]([CH:12]3[CH2:13][N:14]([CH3:16])[CH2:15]3)[c:9]2[cH:10][cH:11]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 80711,2-DimethoxyethaneHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 594160686-(3-Propylureido)-4-(4-(trifluoromethyl)thiazol-2-yl)pyridin-3-ylboronic acidHCID 59416185Ethyl 6-iodo-1-(1-methylazetidin-3-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylate

Product 1

HCID 44540347Ethyl 1-(1-methylazetidin-3-yl)-4-oxo-6-(6-(3-propylureido)-4-(4-(trifluoromethyl)thiazol-2-yl)pyridin-3-yl)-1,4-dihydroquinoline-3-carboxylate

Sources & evidence

ORD record
ord-52f2a660de5049fb8473dd817c82b36b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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