Bicarbonate Ion → HCID 25013658, compound

HRID 175860Notes

Reaction equation

HRID 175860 reaction equation
[C:23](=[O:24])([O-:25])[O-:26].[C:46](=[O:47])([OH:48])[O-:49].[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([N:11]2[CH2:12][CH2:13][CH:14]([CH:17]3[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]3)[CH2:15][CH2:16]2)[cH:9][cH:10]1.[CH3:39][N:40]1[CH2:41][CH2:42][CH2:43][C:44]1=[O:45].[Cl:29][c:30]1[o:31][c:32]2[c:33]([n:34]1)[cH:35][cH:36][cH:37][cH:38]2.[Cs+:27].[Cs+:28].[Na+:50]>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([N:11]2[CH2:12][CH2:13][CH:14]([CH:17]3[CH2:18][CH2:19][N:20]([c:30]4[o:31][c:32]5[c:33]([n:34]4)[cH:35][cH:36][cH:37][cH:38]5)[CH2:21][CH2:22]3)[CH2:15][CH2:16]2)[cH:9][cH:10]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 119862-ChlorobenzoxazoleHCID 13387N-methyl-2-pyrrolidoneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 591788671[4-(Methylsulfonyl)phenyl]-4,4'-bipiperidine

Product 1

HCID 25013658HCID 25013658, compound

Sources & evidence

ORD record
ord-b61b93b4ed5a488fa436f7f437f2564e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…