Sodium ion → 2-{[Bis(benzyloxy)phosphoryl]oxy}ethyl 1-ethyl-6-{6-[(ethylcarbamoyl)amino]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-3-yl}-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate

HRID 155388Notes

Reaction equation

HRID 155388 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5](=[O:38])[c:6]([C:14](=[O:15])[O:16][CH2:17][CH2:18][O:19][P:20](=[O:21])([O:22][CH2:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[O:30][CH2:31][c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[cH:7][n:8]([CH2:12][CH3:13])[c:9]2[n:10][cH:11]1.[CH2:39]([CH3:40])[NH:41][C:42]([NH:43][c:44]1[cH:45][c:46](-[c:53]2[s:54][cH:55][c:56]([C:58]([F:59])([F:60])[F:61])[n:57]2)[c:47]([B:50]([OH:51])[OH:52])[cH:48][n:49]1)=[O:62].[CH3:69][N:70]([CH3:71])[CH:72]=[O:73].[Na+:63].[Na+:64].[O-:65][C:66](=[O:67])[O-:68].[Pd:74].[c:113]1([P:114]([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)[cH:127][cH:128][cH:129][cH:130][cH:131]1.[c:132]1([P:133]([c:134]2[cH:135][cH:136][cH:137][cH:138][cH:139]2)[c:140]2[cH:141][cH:142][cH:143][cH:144][cH:145]2)[cH:146][cH:147][cH:148][cH:149][cH:150]1.[c:75]1([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)[cH:89][cH:90][cH:91][cH:92][cH:93]1.[c:94]1([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)[cH:108][cH:109][cH:110][cH:111][cH:112]1>>[c:2]1(-[c:47]2[c:46](-[c:53]3[s:54][cH:55][c:56]([C:58]([F:59])([F:60])[F:61])[n:57]3)[cH:45][c:44]([NH:43][C:42]([NH:41][CH2:39][CH3:40])=[O:62])[n:49][cH:48]2)[cH:3][c:4]2[c:5](=[O:38])[c:6]([C:14](=[O:15])[O:16][CH2:17][CH2:18][O:19][P:20](=[O:21])([O:22][CH2:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[O:30][CH2:31][c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[cH:7][n:8]([CH2:12][CH3:13])[c:9]2[n:10][cH:11]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 6228DimethylformamideHCID 11776Triphenylphosphine4×HCID 19660Carbonate IonHCID 23938PalladiumHCID 594161896-(3-Ethylureido)-4-(4-(trifluoromethyl)thiazol-2-yl)pyridin-3-ylboronic acidHCID 687488382-{[Bis(benzyloxy)phosphoryl]oxy}ethyl 6-bromo-1-ethyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate

Product 1

HCID 687481932-{[Bis(benzyloxy)phosphoryl]oxy}ethyl 1-ethyl-6-{6-[(ethylcarbamoyl)amino]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-3-yl}-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate

Sources & evidence

ORD record
ord-28547af8e3cf48af965192f3ec0c8e1c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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