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

Reaction equation

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

Participants

Reactant 4

HCID 313Hydrochloric Acid

HCID 887Methanol

HCID 312751,4-Dioxane

HCID 669307651,1-Dimethylethyl 2-(4-cyanophenyl)-4,5,7,8-tetrahydropyrazolo[3,4-d]azepine-6(2H)-carboxylate

Product 1

HCID 669308824-(5,6,7,8-Tetrahydropyrazolo[3,4-d]azepin-2(4H)-yl)benzonitrile

Sources & evidence

ORD record: ord-fa58fbdae4814ce59f189664ba9cf951
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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