Potassium Cation → N-[3-(4-hydroxy-1-isopentyl-2-oxo-5,6,7,8,9,9a-hexahydro-4aH-cyclohepta[b]pyridin-3-yl)-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-7-yl]-N-methyl-methanesulfonamide

HRID 2151199Notes

Reaction equation

HRID 2151199 reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[I:7][CH3:8].[K+:5].[K+:6].[OH:9][C:10]1=[C:15]([C:16]2=[N:17][S:18](=[O:31])(=[O:32])[c:19]3[c:20]([cH:22][cH:23][c:24]([NH:26][S:27](=[O:28])(=[O:29])[CH3:30])[cH:25]3)[NH:21]2)[C:14](=[O:33])[N:13]([CH2:34][CH2:35][CH:36]([CH3:37])[CH3:38])[CH:12]2[CH:11]1[CH2:43][CH2:42][CH2:41][CH2:40][CH2:39]2>>[CH3:1][N:26]([c:24]1[cH:23][cH:22][c:20]2[c:19]([cH:25]1)[S:18](=[O:31])(=[O:32])[N:17]=[C:16]([C:15]1=[C:10]([OH:9])[CH:11]3[CH:12]([N:13]([CH2:34][CH2:35][CH:36]([CH3:37])[CH3:38])[C:14]1=[O:33])[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]3)[NH:21]2)[S:27](=[O:28])(=[O:29])[CH3:30]

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 6328Methyl iodideHCID 19660Carbonate IonHCID 135955693N-[3-(4-hydroxy-1-isopentyl-2-oxo-5,6,7,8,9,9a-hexahydro-4aH-cyclohepta[b]pyridin-3-yl)-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-7-yl]methanesulfonamide

Product 1

HCID 135955694N-[3-(4-hydroxy-1-isopentyl-2-oxo-5,6,7,8,9,9a-hexahydro-4aH-cyclohepta[b]pyridin-3-yl)-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-7-yl]-N-methyl-methanesulfonamide

Sources & evidence

ORD record
ord-86e0928e54384b5083f821eecbe2d06a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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