Bicarbonate Ion → 5-[Isocyano(4-methylbenzene-1-sulfonyl)methyl]-2H-1,3-benzodioxole

HRID 666134Notes

Reaction equation

HRID 666134 reaction equation
[C:37](=[O:38])([O-:39])[OH:40].[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[Na+:41].[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([CH:10]([NH:11][CH:12]=[O:13])[S:14](=[O:15])(=[O:16])[c:17]1[cH:18][cH:19][c:20]([CH3:23])[cH:21][cH:22]1)[cH:9]2.[P:24]([Cl:25])([Cl:26])([Cl:27])=[O:28].[n:29]1[c:30]([CH3:31])[cH:32][cH:33][cH:34][c:35]1[CH3:36]>>[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([CH:10]([N+:11]#[C-:12])[S:14](=[O:15])(=[O:16])[c:17]1[cH:18][cH:19][c:20]([CH3:23])[cH:21][cH:22]1)[cH:9]2

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 79372,6-LutidineHCID 8028TetrahydrofuranHCID 24813Phosphorus oxychlorideHCID 85956452HCID 85956452, compound

Product 1

HCID 27717375-[Isocyano(4-methylbenzene-1-sulfonyl)methyl]-2H-1,3-benzodioxole

Sources & evidence

ORD record
ord-7a58abb797244616b4993b2a62113514
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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