tert-Butylbenzoic acid (mixed isomers) → HCID 21999327, compound

HRID 1551297Notes

Reaction equation

HRID 1551297 reaction equation
[CH3:1][O:2][C:3]([CH:4]([NH2:5])[CH2:6][c:7]1[cH:8][cH:9][c:10]([NH:13][C:14](=[O:15])[c:16]2[c:17]([Cl:23])[cH:18][cH:19][cH:20][c:21]2[Cl:22])[cH:11][cH:12]1)=[O:24].[CH3:25][C:26]([CH3:27])([CH3:28])[c:29]1[c:30]([C:31](=[O:32])[OH:33])[cH:34][cH:35][cH:36][cH:37]1>>[CH3:1][O:2][C:3]([CH:4]([NH:5][C:31]([c:30]1[c:29]([C:26]([CH3:25])([CH3:27])[CH3:28])[cH:37][cH:36][cH:35][cH:34]1)=[O:32])[CH2:6][c:7]1[cH:8][cH:9][c:10]([NH:13][C:14](=[O:15])[c:16]2[c:17]([Cl:23])[cH:18][cH:19][cH:20][c:21]2[Cl:22])[cH:11][cH:12]1)=[O:24]

Participants

3

Reactant 2

HCID 136850tert-Butylbenzoic acid (mixed isomers)HCID 22660085Methyl 2-amino-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate

Product 1

HCID 21999327HCID 21999327, compound

Sources & evidence

ORD record
ord-807bf6e8644143eeab3e6f6d3feea3ad
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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