Bicarbonate Ion → N-[3-[4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide

HRID 107224Notes

Reaction equation

HRID 107224 reaction equation
[C:37](=[O:38])([OH:39])[O-:40].[CH2:20]([C:21]#[CH:22])[NH:23][C:24]([C:25]([F:26])([F:27])[F:28])=[O:29].[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:44][OH:45].[Cl:41][CH2:42][Cl:43].[I-:19].[I:1][c:2]1[c:3]([NH2:18])[n:4][c:5](=[O:17])[n:6]([CH:7]2[CH:8]([OH:9])[CH:10]([OH:11])[CH:12]([CH2:13][OH:14])[O:15]2)[cH:16]1.[O:123]=[CH:124][N:125]([CH3:126])[CH3:127].[cH:46]1[cH:47][cH:48][c:49]([P:50]([Pd:51]([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)([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)[cH:121][cH:122]1>>[c:2]1([C:22]#[C:21][CH2:20][NH:23][C:24]([C:25]([F:26])([F:27])[F:28])=[O:29])[c:3]([NH2:18])[n:4][c:5](=[O:17])[n:6]([CH:7]2[CH:8]([OH:9])[CH:10]([OH:11])[CH:12]([CH2:13][OH:14])[O:15]2)[cH:16]1

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 887MethanolHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 30165Iodide IonHCID 37129104-Amino-1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-iodo-pyrimidin-2-oneHCID 110948052,2,2-trifluoro-N-(prop-2-yn-1-yl)acetamideHCID 178420554HCID 178420554, compound

Product 1

HCID 76799509N-[3-[4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide

Sources & evidence

ORD record
ord-e2f33328752745fe861ecb9e7c562b2b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…