Bicarbonate Ion → 7-benzenesulfonyl-2,2-dimethyl-3,4-dihydro-2H-benzo[1,4]oxazine

HRID 172527Notes

Reaction equation

HRID 172527 reaction equation
[C:29](=[O:30])([OH:31])[O-:32].[C:34](=[O:35])([O-:36])[O-:37].[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH3:23][CH2:24][O:25][C:26](=[O:27])[CH3:28].[K+:38].[K+:39].[Na+:33].[c:1]1([S:7](=[O:8])(=[O:9])[c:10]2[cH:11][c:12]3[c:13]([cH:21][cH:22]2)[NH:14][C:15](=[O:20])[C:16]([CH3:18])([CH3:19])[O:17]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7](=[O:8])(=[O:9])[c:10]2[cH:11][c:12]3[c:13]([cH:21][cH:22]2)[NH:14][CH2:15][C:16]([CH3:18])([CH3:19])[O:17]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 813Potassium Cation2×HCID 923Sodium ionHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 586415337-benzenesulfonyl-2,2-dimethyl-4H-benzo[1,4]oxazin-3-one

Product 1

HCID 586415397-benzenesulfonyl-2,2-dimethyl-3,4-dihydro-2H-benzo[1,4]oxazine

Sources & evidence

ORD record
ord-2789ca170bb04100b23561a1339c2615
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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