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

HRID 1564191Notes

Reaction equation

HRID 1564191 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]([c:46]2[n:47][cH:48][c:49]([CH2:52][CH3:53])[cH:50][n:51]2)[CH2:54][c:55]2[cH:56][cH:57][c:58]([Br:61])[cH:59][cH:60]2)[n:42]1)=[O:62].[CH2:63]1[CH2:64][O:65][CH2:66][CH2:67][NH:68]1.[CH3:22][C:23]([CH3:24])([O-:25])[CH3:26].[CH3:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[Na+:27].[O:114]=[C:115]([CH:116]=[CH:117][c:118]1[cH:119][cH:120][cH:121][cH:122][cH:123]1)[CH:124]=[CH:125][c:126]1[cH:127][cH:128][cH:129][cH:130][cH:131]1.[O:78]=[C:79]([CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1)[CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1.[O:96]=[C:97]([CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1)[CH:106]=[CH:107][c:108]1[cH:109][cH:110][cH:111][cH:112][cH:113]1.[Pd:76].[Pd:77]>>[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]([c:46]2[n:47][cH:48][c:49]([CH2:52][CH3:53])[cH:50][n:51]2)[CH2:54][c:55]2[cH:56][cH:57][c:58]([N:68]3[CH2:63][CH2:64][O:65][CH2:66][CH2:67]3)[cH:59][cH:60]2)[n:42]1)=[O:62]

Participants

9

Reactant 8

HCID 923Sodium ionHCID 1140TolueneHCID 8083MorpholineHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 27342152-(Di-tert-butylphosphino)biphenylHCID 45749132-Methylpropan-2-olateHCID 597592542-[(4-{2-[(4-Bromobenzyl)(5-ethylpyrimidin-2-yl)amino]ethyl}-1,3-thiazol-2-yl)thio]-2-methylpropionic acid tert-butyl ester

Product 1

HCID 597589862-[(4-{2-[(5-Ethylpyrimidin-2-yl)(4-morpholin-4-ylbenzyl)amino]ethyl}-1,3-thiazol-2-yl)thio]-2-methylpropionic acid tert-butyl ester

Sources & evidence

ORD record
ord-541a16d239d94e809da47057296f4511
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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