Sodium ion → 3-[(2-Tert-butyl-1,1-dioxido-3-oxo-5-phenyl-2,3-dihydroisothiazol-4-yl)amino]propyl 4-methylbenzenesulfonate

HRID 2323412Notes

Reaction equation

HRID 2323412 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[S:6](=[O:22])(=[O:23])[C:7]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)=[C:8]([NH:11][CH2:12][CH2:13][CH2:14][OH:15])[C:9]1=[O:10].[C:35](=[O:36])([O-:37])[O-:38].[CH3:24][c:25]1[cH:26][cH:27][c:28]([S:31](=[O:32])(=[O:33])[Cl:34])[cH:29][cH:30]1.[CH3:41][N:42]([c:43]1[cH:44][cH:45][n:46][cH:47][cH:48]1)[CH3:49].[Cl:50][CH2:51][Cl:52].[Na+:39].[Na+:40]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[S:6](=[O:22])(=[O:23])[C:7]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)=[C:8]([NH:11][CH2:12][CH2:13][CH2:14][O:15][S:31]([c:28]2[cH:27][cH:26][c:25]([CH3:24])[cH:30][cH:29]2)(=[O:32])=[O:33])[C:9]1=[O:10]

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 6344DichloromethaneHCID 73974-Toluenesulfonyl chlorideHCID 142844-(Dimethylamino)pyridineHCID 19660Carbonate IonHCID 11588111HCID 11588111, compound

Product 1

HCID 866258673-[(2-Tert-butyl-1,1-dioxido-3-oxo-5-phenyl-2,3-dihydroisothiazol-4-yl)amino]propyl 4-methylbenzenesulfonate

Sources & evidence

ORD record
ord-3f5de98bdf184e929a0f9df041031294
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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