Isopropanol → methyl 2-bromo-4-[(2-{1-[5-(4-tert-butylphenyl)-4-hydroxy-1-methyl-1H-pyrazol-3-yl]ethylidene}hydrazino)carbonyl]benzoate

HRID 1571532Notes

Reaction equation

HRID 1571532 reaction equation
[Br:21][c:22]1[c:23]([C:24](=[O:25])[O:26][CH3:27])[cH:28][cH:29][c:30]([C:32](=[O:33])[NH:34][NH2:35])[cH:31]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[c:12]([OH:20])[c:13]([C:17]([CH3:18])=[O:19])[n:14][n:15]2[CH3:16])[cH:9][cH:10]1.[CH:36]([OH:37])([CH3:38])[CH3:39]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[c:12]([OH:20])[c:13]([C:17]([CH3:18])=[N:35][NH:34][C:32]([c:30]3[cH:29][cH:28][c:23]([C:24](=[O:25])[O:26][CH3:27])[c:22]([Br:21])[cH:31]3)=[O:33])[n:14][n:15]2[CH3:16])[cH:9][cH:10]1

Participants

4

Reactant 3

HCID 3776IsopropanolHCID 670500841-[5-(4-t-Butylphenyl)-4-hydroxy-1-methyl-1H-pyrazol-3-yl]ethanoneHCID 67050217Methyl 2-bromo-4-hydrazinocarbonylbenzoate

Product 1

HCID 86604755methyl 2-bromo-4-[(2-{1-[5-(4-tert-butylphenyl)-4-hydroxy-1-methyl-1H-pyrazol-3-yl]ethylidene}hydrazino)carbonyl]benzoate

Sources & evidence

ORD record
ord-6d9527c126a24af3b50a6c2d071f3eae
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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