Bicarbonate Ion → HCID 67377517, compound

HRID 296753Notes

Reaction equation

HRID 296753 reaction equation
[CH3:36][n:37]1[n:38][cH:39][c:40]([B:42]2[O:43][C:44]([CH3:45])([CH3:46])[C:47]([CH3:48])([CH3:49])[O:50]2)[cH:41]1.[NH2:1][c:2]1[n:3][cH:4][c:5]([Br:35])[cH:6][c:7]1-[c:8]1[n:9][n:10][n:11][n:12]1-[c:13]1[c:14]([F:34])[c:15]([F:33])[c:16]([O:17][CH2:18][CH2:19][CH2:20][CH2:21][N:22]([C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[CH3:30])[cH:31][cH:32]1.[Na+:55].[O-:51][C:52]([OH:53])=[O:54].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60]>>[NH2:1][c:2]1[n:3][cH:4][c:5](-[c:40]2[cH:39][n:38][n:37]([CH3:36])[cH:41]2)[cH:6][c:7]1-[c:8]1[n:9][n:10][n:11][n:12]1-[c:13]1[c:14]([F:34])[c:15]([F:33])[c:16]([O:17][CH2:18][CH2:19][CH2:20][CH2:21][N:22]([C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[CH3:30])[cH:31][cH:32]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 27739871-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleHCID 67376812HCID 67376812, compound

Product 1

HCID 67377517HCID 67377517, compound

Sources & evidence

ORD record
ord-21fe66edb1ad475d8deec4e2e897b932
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…