Sodium ion → 3,4-dihydro-8-fluoro-1-{2-[4-(6-fluoroindol-3-yl)-1,2,5,6-tetrahydro-1-pyridyl]-1-ethyl}-3-(1-methylethyl)-1H-2,1,3-benzothiadiazine-2,2-dioxide

HRID 102402Notes

Reaction equation

HRID 102402 reaction equation
[C:36](=[O:37])([O-:38])[O-:39].[Cl:1][CH2:2][CH2:3][N:4]1[S:5](=[O:18])(=[O:19])[N:6]([CH:15]([CH3:16])[CH3:17])[CH2:7][c:8]2[c:9]1[c:10]([F:14])[cH:11][cH:12][cH:13]2.[F:20][c:21]1[cH:22][cH:23][c:24]2[c:25]([C:30]3=[CH:31][CH2:32][NH:33][CH2:34][CH2:35]3)[cH:26][nH:27][c:28]2[cH:29]1.[Na+:40].[Na+:41].[OH2:42]>>[CH2:2]([CH2:3][N:4]1[S:5](=[O:18])(=[O:19])[N:6]([CH:15]([CH3:16])[CH3:17])[CH2:7][c:8]2[c:9]1[c:10]([F:14])[cH:11][cH:12][cH:13]2)[N:33]1[CH2:32][CH:31]=[C:30]([c:25]2[c:24]3[cH:23][cH:22][c:21]([F:20])[cH:29][c:28]3[nH:27][cH:26]2)[CH2:35][CH2:34]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 962WaterHCID 19660Carbonate IonHCID 110530726-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indoleHCID 177771701-(2-chloroethyl)-3,4-dihydro-8-fluoro-3-(1-methylethyl)-1H-2,1,3-benzothiadiazine-2,2-dioxide

Product 1

HCID 158604033,4-dihydro-8-fluoro-1-{2-[4-(6-fluoroindol-3-yl)-1,2,5,6-tetrahydro-1-pyridyl]-1-ethyl}-3-(1-methylethyl)-1H-2,1,3-benzothiadiazine-2,2-dioxide

Sources & evidence

ORD record
ord-858da4da7072494db036fd9799db7ec4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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