Bicarbonate Ion → HCID 66937086, compound

HRID 175858Notes

Reaction equation

HRID 175858 reaction equation
[C:36](=[O:37])([O-:38])[O-:39].[CH3:42][O:43][CH2:44][CH2:45][O:46][CH3:47].[CH3:48][CH2:49][O:50][C:51]([CH3:52])=[O:53].[Cl:25][c:26]1[c:27]([B:33]([OH:34])[OH:35])[cH:28][c:29]([F:32])[n:30][cH:31]1.[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[n:8][c:9]([NH:14][CH2:15][C:16]2([CH3:22])[CH2:17][CH2:18][O:19][CH2:20][CH2:21]2)[c:10]([F:13])[cH:11][cH:12]1)(=[O:23])=[O:24].[Na+:40].[Na+:41].[Na+:58].[O-:54][C:55]([OH:56])=[O:57]>>[c:7]1(-[c:27]2[c:26]([Cl:25])[cH:31][n:30][c:29]([F:32])[cH:28]2)[n:8][c:9]([NH:14][CH2:15][C:16]2([CH3:22])[CH2:17][CH2:18][O:19][CH2:20][CH2:21]2)[c:10]([F:13])[cH:11][cH:12]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ion3×HCID 80711,2-DimethoxyethaneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 44754822(5-Chloro-2-fluoropyridin-4-yl)boronic acidHCID 86650614HCID 86650614, compound

Product 1

HCID 66937086HCID 66937086, compound

Sources & evidence

ORD record
ord-0776aef72a394a008098c0ce5d5532ed
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…