Benzene → Indacrinone

HRID 304234Notes

Reaction equation

HRID 304234 reaction equation
[CH2:34]1[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]1.[CH3:29][S:30](=[O:31])(=[O:32])[OH:33].[O:1]=[C:2]1[C:3]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)([CH3:28])[CH2:4][c:5]2[cH:6][c:7]([O:13][CH2:14][C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[c:8]([Cl:12])[c:9]([Cl:11])[c:10]21.[cH:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[O:1]=[C:2]1[C:3]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)([CH3:28])[CH2:4][c:5]2[cH:6][c:7]([O:13][CH2:14][C:15](=[O:16])[OH:17])[c:8]([Cl:12])[c:9]([Cl:11])[c:10]21

Participants

5

Reactant 4

HCID 241BenzeneHCID 6395Methanesulfonic AcidHCID 8078CyclohexaneHCID 20384375Tert-butyl(1-oxo-2-methyl-2-phenyl-6,7-dichloro-5-indanyloxy)acetate

Product 1

HCID 42266Indacrinone

Sources & evidence

ORD record
ord-86d299b07f20486190ad55ddec6f99ac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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