Bicarbonate Ion → 4-[5-(5-Methoxy-2-methylsulfanyl-pyrimidin-4-yl)-thiophen-2-yl]-2-methyl-butan-2-ol

HRID 90765Notes

Reaction equation

HRID 90765 reaction equation
[C:38](=[O:39])([OH:40])[O-:41].[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH3:125][O:126][CH2:127][CH2:128][O:129][CH3:130].[CH3:13][CH:14]([N-:15][CH:16]([CH3:17])[CH3:18])[CH3:19].[CH3:1][C:2]([CH3:3])([CH2:4][CH2:5][c:6]1[s:7][cH:8][cH:9][cH:10]1)[OH:11].[CH3:20][O:21][B:22]([O:23][CH3:24])[O:25][CH3:26].[Cl:27][c:28]1[n:29][c:30]([S:36][CH3:37])[n:31][cH:32][c:33]1[O:34][CH3:35].[Li+:12].[Na+:42].[cH:48]1[cH:49][cH:50][c:51]([P:52]([Pd:53]([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[P:92]([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[cH:123][cH:124]1>>[CH3:1][C:2]([CH3:3])([CH2:4][CH2:5][c:6]1[s:7][c:8](-[c:28]2[n:29][c:30]([S:36][CH3:37])[n:31][cH:32][c:33]2[O:34][CH3:35])[cH:9][cH:10]1)[OH:11]

Participants

11

Reactant 10

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 80711,2-DimethoxyethaneHCID 8470Trimethyl borateHCID 28486Lithium ionHCID 2435114-Chloro-5-methoxy-2-(methylsulfanyl)pyrimidineHCID 5062348DiisopropylamideHCID 326398272-Methyl-4-(thiophen-2-yl)butan-2-olHCID 178420554HCID 178420554, compound

Product 1

HCID 579361614-[5-(5-Methoxy-2-methylsulfanyl-pyrimidin-4-yl)-thiophen-2-yl]-2-methyl-butan-2-ol

Sources & evidence

ORD record
ord-df901c6e6da7433da43558f08f4a7044
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…