Bicarbonate Ion → HCID 58127452, compound

HRID 1136977Notes

Reaction equation

HRID 1136977 reaction equation
[C:35](=[O:36])([O-:37])[O-:38].[CH3:41][O:42][CH2:43][CH2:44][O:45][CH3:46].[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[Cl:24][c:25]1[c:26]([B:32]([OH:33])[OH:34])[cH:27][c:28]([F:31])[n:29][cH:30]1.[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[n:8][c:9]([NH:14][CH2:15][CH:16]2[CH2:17][CH2:18][O:19][CH2:20][CH2:21]2)[c:10]([F:13])[cH:11][cH:12]1)(=[O:22])=[O:23].[Na+:39].[Na+:40].[Na+:57].[O-:53][C:54]([OH:55])=[O:56]>>[c:7]1(-[c:26]2[c:25]([Cl:24])[cH:30][n:29][c:28]([F:31])[cH:27]2)[n:8][c:9]([NH:14][CH2:15][CH:16]2[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 86650603HCID 86650603, compound

Product 1

HCID 58127452HCID 58127452, compound

Sources & evidence

ORD record
ord-aa57b5d9058047e092579e80c7cf8391
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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