Bicarbonate Ion → [4-acetyloxy-5-(4-amino-5-iodo-2-oxopyrimidin-1-yl)-2-methyloxolan-3-yl] acetate

HRID 1137039Notes

Reaction equation

HRID 1137039 reaction equation
[C:17]([O:18][CH:21]1[CH:22]([O:23][C:24]([CH3:25])=[O:26])[CH:27]([O:28][C:29]([CH3:30])=[O:31])[CH:32]([CH3:34])[O:33]1)(=[O:19])[CH3:20].[C:35](=[O:36])([OH:37])[O-:38].[CH3:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1.[CH3:45][C:46]#[N:47].[I:1][c:2]1[c:3]([NH2:9])[n:4][c:5](=[O:8])[nH:6][cH:7]1.[N+:40]([CH3:41])([O-:42])=[O:43].[Na+:39].[OH2:44]>>[I:1][c:2]1[c:3]([NH2:9])[n:4][c:5](=[O:8])[n:6]([CH:21]2[CH:22]([O:23][C:24]([CH3:25])=[O:26])[CH:27]([O:28][C:29]([CH3:30])=[O:31])[CH:32]([CH3:34])[O:33]2)[cH:7]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 6342AcetonitrileHCID 6375NitromethaneHCID 139892425-Deoxy-1,2,3-tri-o-acetyl-d-ribofuranosideHCID 178509022HCID 178509022, compound

Product 1

HCID 178475532[4-acetyloxy-5-(4-amino-5-iodo-2-oxopyrimidin-1-yl)-2-methyloxolan-3-yl] acetate

Sources & evidence

ORD record
ord-5672388cdb714471a0f6891be18f4209
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…