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-6-yl)phenyl]cyclopropane-1-carboxamide

HRID 698966Notes

Reaction equation

HRID 698966 reaction equation
[Br:34][c:35]1[cH:36][c:37]2[c:38]([cH:45][cH:46]1)[C:39](=[O:44])[NH:40][S:41]2(=[O:42])=[O:43].[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][c:37]6[c:38]([cH:45][cH:46]5)[C:39](=[O:44])[NH:40][S:41]6(=[O:42])=[O:43])[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 105409966-Bromo-2,3-dihydro-1,2-benzothiazole-1,1,3-trioneHCID 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 251526611-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)-N-[4-methyl-3-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-6-yl)phenyl]cyclopropane-1-carboxamide

Sources & evidence

ORD record
ord-4b5a7a384e164e189e7ba5c8346189e2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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