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

HRID 189306Notes

Reaction equation

HRID 189306 reaction equation
[C:18](#[N:19])[c:20]1[cH:21][cH:22][c:23]([B:26]([OH:27])[OH:28])[cH:24][cH:25]1.[C:38]([O-:39])(=[O:40])[CH3:41].[C:43]([O-:44])(=[O:45])[CH3:46].[Cl:35][CH2:36][Cl:37].[Cu+2:42].[cH:29]1[cH:30][cH:31][n:32][cH:33][cH:34]1.[n:1]1[nH:2][cH:3][c:4]2[c:5]1[CH2:6][CH2:7][N:8]([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:9][CH2:10]2>>[n:1]1[n:2](-[c:23]2[cH:22][cH:21][c:20]([C:18]#[N:19])[cH:25][cH:24]2)[cH:3][c:4]2[c:5]1[CH2:6][CH2:7][N:8]([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:9][CH2:10]2

Participants

7

Reactant 6

HCID 175Acetate2×HCID 1049PyridineHCID 6344DichloromethaneHCID 27099Cupric cationHCID 27343264-Cyanophenylboronic acidHCID 178451637HCID 178451637, compound

Product 1

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

Sources & evidence

ORD record
ord-171aff4236d04e02a38d5afb89e1540b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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