Bicarbonate Ion → Cytidine, 2'-deoxy-5-[3-[(trifluoroacetyl)amino]-1-propynyl]-

HRID 286792Notes

Reaction equation

HRID 286792 reaction equation
[C:35](=[O:36])([OH:37])[O-:38].[CH3:18][CH2:19][N:20]([CH2:21][CH3:22])[CH2:23][CH3:24].[Cu:44][I:45].[F:25][C:26]([C:27](=[O:28])[NH:29][CH2:30][C:31]#[CH:32])([F:33])[F:34].[I:1][c:2]1[c:3]([NH2:17])[n:4][c:5](=[O:16])[n:6]([CH:7]2[CH2:8][CH:9]([OH:10])[CH:11]([CH2:12][OH:13])[O:14]2)[cH:15]1.[O:39]=[CH:40][N:41]([CH3:42])[CH3:43]>>[c:2]1([C:32]#[C:31][CH2:30][NH:29][C:27]([C:26]([F:25])([F:33])[F:34])=[O:28])[c:3]([NH2:17])[n:4][c:5](=[O:16])[n:6]([CH:7]2[CH2:8][CH:9]([OH:10])[CH:11]([CH2:12][OH:13])[O:14]2)[cH:15]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 6228DimethylformamideHCID 8471TriethylamineHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 3525554-Amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-oneHCID 110948052,2,2-trifluoro-N-(prop-2-yn-1-yl)acetamide

Product 1

HCID 14768552Cytidine, 2'-deoxy-5-[3-[(trifluoroacetyl)amino]-1-propynyl]-

Sources & evidence

ORD record
ord-200553bc6fd741cda7823561aae4ef6d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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