Acetone → 4-(4-tert-Butylbenzoylamino)isophthalic acid

HRID 186239

Reaction equation

HRID 186239 reaction equation
[C:15]([CH3:16])([CH3:17])([CH3:18])[c:19]1[cH:20][cH:21][c:22]([C:23](=[O:24])[Cl:25])[cH:26][cH:27]1.[CH3:28][C:29](=[O:30])[CH3:31].[NH2:1][c:2]1[c:3]([C:11](=[O:12])[OH:13])[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1.[OH2:14]>>[NH:1]([c:2]1[c:3]([C:11](=[O:12])[OH:13])[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1)[C:23]([c:22]1[cH:21][cH:20][c:19]([C:15]([CH3:16])([CH3:17])[CH3:18])[cH:27][cH:26]1)=[O:24]

Participants

5

Reactant 4

HCID 180AcetoneHCID 962WaterHCID 743724-tert-Butylbenzoyl chlorideHCID 113558524-Aminobenzene-1,3-dioic acid

Product 1

HCID 219064144-(4-tert-Butylbenzoylamino)isophthalic acid

Sources & evidence

ORD record
ord-643d668fe7fc44fd9c0b078609055e87
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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