2,2-Dimethylsuccinic anhydride → 4-{4-[4-(3-tert-Butyl-phenylcarbamoyl)-phenyl]-piperazin-1-yl}-2,2-dimethyl-4-oxo-butyric acid

HRID 191116

Reaction equation

HRID 191116 reaction equation
[C:10]([CH3:11])([CH3:12])([CH3:13])[c:14]1[cH:15][c:16]([NH:20][C:21]([c:22]2[cH:23][cH:24][c:25]([N:28]3[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]3)[cH:26][cH:27]2)=[O:34])[cH:17][cH:18][cH:19]1.[CH3:1][C:2]1([CH3:9])[C:3](=[O:4])[O:5][C:6](=[O:8])[CH2:7]1>>[CH3:1][C:2]([C:3](=[O:4])[OH:5])([CH2:7][C:6](=[O:8])[N:31]1[CH2:30][CH2:29][N:28]([c:25]2[cH:24][cH:23][c:22]([C:21]([NH:20][c:16]3[cH:15][c:14]([C:10]([CH3:11])([CH3:12])[CH3:13])[cH:19][cH:18][cH:17]3)=[O:34])[cH:27][cH:26]2)[CH2:33][CH2:32]1)[CH3:9]

Participants

3

Reactant 2

HCID 870672,2-Dimethylsuccinic anhydrideHCID 59318141N-(3-tert-Butyl-phenyl)-4-piperazin-1-yl-benzamide

Product 1

HCID 593180284-{4-[4-(3-tert-Butyl-phenylcarbamoyl)-phenyl]-piperazin-1-yl}-2,2-dimethyl-4-oxo-butyric acid

Sources & evidence

ORD record
ord-2d210aefcaae4cb481e15095d0bea551
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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