Potassium Cation → Ethyl 5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-1,2-benzisothiazole-3-acetate

HRID 1141978

Reaction equation

HRID 1141978 reaction equation
[C:28](=[O:29])([O-:30])[O-:31].[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[I:34][CH3:35].[K+:32].[K+:33].[O:1]=[c:2]1[n:3](-[c:13]2[cH:14][cH:15][c:16]3[c:17]([c:18]([CH2:21][C:22](=[O:23])[O:24][CH2:25][CH3:26])[n:19][s:20]3)[cH:27]2)[c:4](=[O:12])[cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[nH:7]1.[OH2:47]>>[O:1]=[c:2]1[n:3](-[c:13]2[cH:14][cH:15][c:16]3[c:17]([c:18]([CH2:21][C:22](=[O:23])[O:24][CH2:25][CH3:26])[n:19][s:20]3)[cH:27]2)[c:4](=[O:12])[cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[n:7]1[CH3:28]

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 6328Methyl iodideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 10960337Ethyl 5-[3,6-dihydro-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-1,2-benzisothiazole-3-acetate

Product 1

HCID 11729347Ethyl 5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-1,2-benzisothiazole-3-acetate

Sources & evidence

ORD record
ord-55b7cbc507bf4fc8b5b74f43cfb9b022
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Linked notes

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