Toluene → 2,3,4,5-Tetrabromo-6-[(4-chloro-2-fluoro-5-isopropoxycarbonyl-phenyl)carbamoyl]benzoic acid

HRID 2317066Notes

Reaction equation

HRID 2317066 reaction equation
[Br:1][c:2]1[c:3]([Br:15])[c:4]([Br:14])[c:5]([Br:13])[c:6]2[c:7]1[C:8](=[O:9])[O:10][C:11]2=[O:12].[CH3:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[NH2:16][c:17]1[c:18]([F:30])[cH:19][c:20]([Cl:29])[c:21]([C:22](=[O:23])[O:24][CH:25]([CH3:26])[CH3:27])[cH:28]1>>[Br:1][c:2]1[c:3]([Br:15])[c:4]([Br:14])[c:5]([Br:13])[c:6]([C:11]([OH:10])=[O:12])[c:7]1[C:8](=[O:9])[NH:16][c:17]1[c:18]([F:30])[cH:19][c:20]([Cl:29])[c:21]([C:22](=[O:23])[O:24][CH:25]([CH3:26])[CH3:27])[cH:28]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 12443Tetrabromophthalic anhydrideHCID 13519894Propan-2-yl 5-amino-2-chloro-4-fluorobenzoate

Product 1

HCID 5073152,3,4,5-Tetrabromo-6-[(4-chloro-2-fluoro-5-isopropoxycarbonyl-phenyl)carbamoyl]benzoic acid

Sources & evidence

ORD record
ord-da690e21607b4c21b66b2cdf13f1fff2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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