Hydrochloric Acid → N-[3-[1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-4a,5,6,7,8,8a-hexahydroquinolin-3-yl]-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-7-yl]methanesulfonamide

HRID 291887Notes

Reaction equation

HRID 291887 reaction equation
[CH2:1]([O:2][C:4](=[O:5])[CH:6]1[CH:7]([N:12]([C:13]([CH2:14][C:15]2=[N:16][S:17](=[O:30])(=[O:31])[c:18]3[c:19]([cH:21][cH:22][c:23]([NH:25][S:26](=[O:27])(=[O:28])[CH3:29])[cH:24]3)[NH:20]2)=[O:32])[CH2:33][CH2:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:8][CH2:9][CH2:10][CH2:11]1)[CH3:3].[CH3:40][CH2:41][O-:42].[CH3:44][CH2:45][OH:46].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[ClH:43].[Na+:39]>>[C:4]1([OH:5])=[C:14]([C:15]2=[N:16][S:17](=[O:30])(=[O:31])[c:18]3[c:19]([cH:21][cH:22][c:23]([NH:25][S:26](=[O:27])(=[O:28])[CH3:29])[cH:24]3)[NH:20]2)[C:13](=[O:32])[N:12]([CH2:33][CH2:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH:7]2[CH:6]1[CH2:11][CH2:10][CH2:9][CH2:8]2

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ionHCID 8857Ethyl AcetateHCID 1194401-Hydroxyethyl radicalHCID 57671186ethyl 2-[3,3-dimethylbutyl-[2-[7-(methanesulfonamido)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl]acetyl]amino]cyclohexane-1-carboxylate

Product 1

HCID 135955949N-[3-[1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-4a,5,6,7,8,8a-hexahydroquinolin-3-yl]-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-7-yl]methanesulfonamide

Sources & evidence

ORD record
ord-7ed22b104dba4519983ae064492b8135
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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