Hydrochloric Acid → N-[4-(5,6,7,8-Tetrahydropyrazolo[3,4-d]azepin-2(4H)-yl)phenyl]methanesulfonamide

Reaction equation

[CH3:1][S:2](=[O:3])(=[O:4])[NH:5][c:6]1[cH:7][cH:8][c:9](-[n:12]2[n:13][c:14]3[c:20]([cH:21]2)[CH2:19][CH2:18][N:17]([C:22]([O:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[CH2:16][CH2:15]3)[cH:10][cH:11]1.[CH3:36][OH:37].[ClH:29].[O:30]1[CH2:31][CH2:32][O:33][CH2:34][CH2:35]1>>[CH3:1][S:2](=[O:3])(=[O:4])[NH:5][c:6]1[cH:7][cH:8][c:9](-[n:12]2[n:13][c:14]3[c:20]([cH:21]2)[CH2:19][CH2:18][NH:17][CH2:16][CH2:15]3)[cH:10][cH:11]1

Participants

Reactant 4

HCID 313Hydrochloric Acid

HCID 887Methanol

HCID 312751,4-Dioxane

HCID 669308081,1-Dimethylethyl 2-{4-[(methylsulfonyl)amino]phenyl}-4,5,7,8-tetrahydropyrazolo[3,4-d]azepine-6(2H)-carboxylate

Product 1

HCID 66930788N-[4-(5,6,7,8-Tetrahydropyrazolo[3,4-d]azepin-2(4H)-yl)phenyl]methanesulfonamide

Sources & evidence

ORD record: ord-431831f614804d068bd622a814860832
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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