Sodium ion → 2-[(4-{2-[Heptyl(5-morpholin-4-ylpyrimidin-2-yl)amino]ethyl}-1,3-thiazol-2-yl)thio]-2-methylpropionic acid tert-butyl ester

HRID 1211645Notes

Reaction equation

HRID 1211645 reaction equation
[C:1]([P:2]([C:3]([CH3:4])([CH3:5])[CH3:6])[c:7]1[cH:8][cH:9][cH:10][cH:11][c:12]1-[c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)([CH3:19])([CH3:20])[CH3:21].[C:28]([CH3:29])([CH3:30])([CH3:31])[O:32][C:33]([C:34]([CH3:35])([CH3:36])[S:37][c:38]1[s:39][cH:40][c:41]([CH2:43][CH2:44][N:45]([CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH3:52])[c:53]2[n:54][cH:55][c:56]([Br:59])[cH:57][n:58]2)[n:42]1)=[O:60].[CH2:61]1[CH2:62][O:63][CH2:64][CH2:65][NH:66]1.[CH3:22][C:23]([CH3:24])([O-:25])[CH3:26].[CH3:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[Na+:27].[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.[Pd:74].[Pd:75]>>[C:28]([CH3:29])([CH3:30])([CH3:31])[O:32][C:33]([C:34]([CH3:35])([CH3:36])[S:37][c:38]1[s:39][cH:40][c:41]([CH2:43][CH2:44][N:45]([CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH3:52])[c:53]2[n:54][cH:55][c:56]([N:66]3[CH2:61][CH2:62][O:63][CH2:64][CH2:65]3)[cH:57][n:58]2)[n:42]1)=[O:60]

Participants

9

Reactant 8

HCID 923Sodium ionHCID 1140TolueneHCID 8083MorpholineHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 27342152-(Di-tert-butylphosphino)biphenylHCID 45749132-Methylpropan-2-olateHCID 597590322-[(4-{2-[(5-Bromopyrimidin-2-yl)(heptyl)amino]ethyl}-1,3-thiazol-2-yl)thio]-2-methylpropionic acid tert-butyl ester

Product 1

HCID 597591682-[(4-{2-[Heptyl(5-morpholin-4-ylpyrimidin-2-yl)amino]ethyl}-1,3-thiazol-2-yl)thio]-2-methylpropionic acid tert-butyl ester

Sources & evidence

ORD record
ord-7b6340b62b074ad994b74f85783e0abe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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