Sodium ion → 1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)-N-[4-methyl-3-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-5-yl)phenyl]cyclopropane-1-carboxamide

HRID 2123509Notes

Reaction equation

HRID 2123509 reaction equation
[Br:34][c:35]1[cH:36][cH:37][c:38]2[c:39]([cH:46]1)[C:40](=[O:45])[NH:41][S:42]2(=[O:43])=[O:44].[C:47](=[O:48])([O-:49])[O-:50].[F:1][C:2]1([F:33])[O:3][c:4]2[c:5]([cH:7][cH:8][c:9]([C:11]3([C:14](=[O:15])[NH:16][c:17]4[cH:18][c:19]([B:24]5[O:25][C:26]([CH3:27])([CH3:28])[C:29]([CH3:30])([CH3:31])[O:32]5)[c:20]([CH3:23])[cH:21][cH:22]4)[CH2:12][CH2:13]3)[cH:10]2)[O:6]1.[Na+:51].[Na+:52].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57]>>[F:1][C:2]1([F:33])[O:3][c:4]2[c:5]([cH:7][cH:8][c:9]([C:11]3([C:14](=[O:15])[NH:16][c:17]4[cH:18][c:19](-[c:35]5[cH:36][cH:37][c:38]6[c:39]([cH:46]5)[C:40](=[O:45])[NH:41][S:42]6(=[O:43])=[O:44])[c:20]([CH3:23])[cH:21][cH:22]4)[CH2:12][CH2:13]3)[cH:10]2)[O:6]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 31356495-Bromobenzo[d]isothiazol-3(2H)-one 1,1-dioxideHCID 592064731-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)-N-(4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropanecarboxamide

Product 1

HCID 251526621-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)-N-[4-methyl-3-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-5-yl)phenyl]cyclopropane-1-carboxamide

Sources & evidence

ORD record
ord-da1142698186493baf13744efb6cfba2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…