Chloride → 4-(5-Amino-3-tert-butyl-pyrazol-1-yl)phenol

HRID 666790Notes

Reaction equation

HRID 666790 reaction equation
[Al+3:22].[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH2:18])[n:8](-[c:10]2[cH:11][cH:12][c:13]([O:16][CH3:17])[cH:14][cH:15]2)[n:9]1.[CH3:23][CH2:24][O:25][C:26](=[O:27])[CH3:28].[Cl-:19].[Cl-:20].[Cl-:21].[Cl:29][CH2:30][Cl:31]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH2:18])[n:8](-[c:10]2[cH:11][cH:12][c:13]([OH:16])[cH:14][cH:15]2)[n:9]1

Participants

6

Reactant 5

HCID 312Chloride3×HCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 104727Aluminum CationHCID 111393953-(tert-Butyl)-1-(4-methoxyphenyl)-1H-pyrazol-5-amine

Product 1

HCID 595579504-(5-Amino-3-tert-butyl-pyrazol-1-yl)phenol

Sources & evidence

ORD record
ord-7abd89cc6c5a413ca5dc5d9f49ba3b9f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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