Bicarbonate Ion → HCID 178492848, compound

HRID 2313329Notes

Reaction equation

HRID 2313329 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7]1)[N:8]([S:22](=[O:23])(=[O:24])[c:25]1[c:26]([O:33][C:34]([F:35])([F:36])[F:37])[cH:27][c:28]([O:31][CH3:32])[cH:29][cH:30]1)[C:9](=[O:21])[C:10]2([c:11]1[c:12]([O:18][CH3:19])[cH:13][cH:14][c:15]([CH3:17])[cH:16]1)[OH:20].[CH3:38][S:39]([O:40][S:41]([CH3:42])(=[O:43])=[O:44])(=[O:45])=[O:46].[CH3:74][CH2:75][N:76]([CH2:77][CH3:78])[CH2:79][CH3:80].[Cl:70][CH:71]([Cl:72])[Cl:73].[Na+:69].[O-:58][C:59]([C:60]([F:61])([F:62])[F:63])=[O:64].[O-:65][C:66]([OH:67])=[O:68].[OH:47][CH:48]1[CH2:49][CH:50]([C:53](=[O:54])[N:55]([CH3:56])[CH3:57])[NH:51][CH2:52]1>>[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7]1)[N:8]([S:22](=[O:23])(=[O:24])[c:25]1[c:26]([O:33][C:34]([F:35])([F:36])[F:37])[cH:27][c:28]([O:31][CH3:32])[cH:29][cH:30]1)[C:9](=[O:21])[C:10]2([c:11]1[c:12]([O:18][CH3:19])[cH:13][cH:14][c:15]([CH3:17])[cH:16]1)[N:51]1[CH:50]([C:53](=[O:54])[N:55]([CH3:56])[CH3:57])[CH2:49][CH:48]([OH:47])[CH2:52]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6212ChloroformHCID 8471TriethylamineHCID 81560Methanesulfonic anhydrideHCID 84468TrifluoroacetateHCID 199071924-hydroxy-N,N-dimethylpyrrolidine-2-carboxamideHCID 674277675-bromo-3-hydroxy-3-(2-methoxy-5-methylphenyl)-1-{[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl}-1,3-dihydro-2H-pyrrolo[2,3-b]pyridin-2-one

Product 1

HCID 178492848HCID 178492848, compound

Sources & evidence

ORD record
ord-7fef3abf0925418fa850f2fdc9bbd3d2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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