Acetate → 4-(2-aminophenyl)-1-butyl-5-methyl-1H-pyrazole-3-carbonitrile

HRID 690037

Reaction equation

HRID 690037 reaction equation
[Br:1][c:2]1[c:3]([C:12]#[N:13])[n:4][n:5]([CH2:8][CH2:9][CH2:10][CH3:11])[c:6]1[CH3:7].[CH3:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[ClH:14].[NH2:15][c:16]1[c:17]([B:22]([OH:23])[OH:24])[cH:18][cH:19][cH:20][cH:21]1.[O-:33][C:34]([CH3:35])=[O:36].[O-:37][C:38]([CH3:39])=[O:40].[Pd+2:32]>>[c:2]1(-[c:17]2[c:16]([NH2:15])[cH:21][cH:20][cH:19][cH:18]2)[c:3]([C:12]#[N:13])[n:4][n:5]([CH2:8][CH2:9][CH2:10][CH3:11])[c:6]1[CH3:7]

Participants

7

Reactant 6

HCID 175Acetate2×HCID 313Hydrochloric AcidHCID 1140TolueneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2773216(2-Aminophenyl)boronic acidHCID 669586224-bromo-1-butyl-5-methyl-1H-pyrazole-3-carbonitrile

Product 1

HCID 669589754-(2-aminophenyl)-1-butyl-5-methyl-1H-pyrazole-3-carbonitrile

Sources & evidence

ORD record
ord-a5021abc282e4dc5a953883d243ad8ea
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

Loading…