Water → ethyl 6-(6-(3-ethylureido)-4-(4-(1-methyl-1H-pyrazol-4-yl)thiazol-2-yl)pyridin-3-yl)-1-((1-methyl-1H-imidazol-4-yl)methyl)-4-oxo-1,4-dihydro-1,7-naphthyridine-3-carboxylate

HRID 1209798Notes

Reaction equation

HRID 1209798 reaction equation
[Br:27][c:28]1[cH:29][c:30]2[c:31](=[O:50])[c:32]([C:45](=[O:46])[O:47][CH2:48][CH3:49])[cH:33][n:34]([CH2:38][c:39]3[n:40][cH:41][n:42]([CH3:44])[cH:43]3)[c:35]2[cH:36][n:37]1.[C:51](=[O:52])([O-:53])[O-:54].[CH2:1]([CH3:2])[NH:3][C:4]([NH:5][c:6]1[cH:7][c:8](-[c:15]2[s:16][cH:17][c:18](-[c:20]3[cH:21][n:22][n:23]([CH3:25])[cH:24]3)[n:19]2)[c:9]([B:12]([OH:13])[OH:14])[cH:10][n:11]1)=[O:26].[Cs+:55].[Cs+:56].[O:57]1[CH2:58][CH2:59][O:60][CH2:61][CH2:62]1.[OH2:63].[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]([NH:5][c:6]1[cH:7][c:8](-[c:15]2[s:16][cH:17][c:18](-[c:20]3[cH:21][n:22][n:23]([CH3:25])[cH:24]3)[n:19]2)[c:9](-[c:28]2[cH:29][c:30]3[c:31](=[O:50])[c:32]([C:45](=[O:46])[O:47][CH2:48][CH3:49])[cH:33][n:34]([CH2:38][c:39]4[n:40][cH:41][n:42]([CH3:44])[cH:43]4)[c:35]3[cH:36][n:37]2)[cH:10][n:11]1)=[O:26]

Participants

8

Reactant 7

HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 672880116-(3-Ethylureido)-4-(4-(1-methyl-1h-pyrazol-4-yl)thiazol-2-yl)pyridin-3-ylboronic acidHCID 86665055ethyl 6-bromo-1-((1-methyl-1H-imidazol-4-yl)methyl)-4-oxo-1,4-dihydro-1,7-naphthyridine-3-carboxylateHCID 178420554HCID 178420554, compound

Product 1

HCID 68749575ethyl 6-(6-(3-ethylureido)-4-(4-(1-methyl-1H-pyrazol-4-yl)thiazol-2-yl)pyridin-3-yl)-1-((1-methyl-1H-imidazol-4-yl)methyl)-4-oxo-1,4-dihydro-1,7-naphthyridine-3-carboxylate

Sources & evidence

ORD record
ord-d68b093f4fc34e578f34b85c393f2fc6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…