Acetone → 2-(1-(4-Bromophenyl)-3-oxocyclobutyl)isoindoline-1,3-dione

HRID 699903Notes

Reaction equation

HRID 699903 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([N:16]3[C:17](=[O:26])[c:18]4[cH:19][cH:20][cH:21][cH:22][c:23]4[C:24]3=[O:25])[CH2:9][C:10]3([CH2:11]2)[O:12][CH2:15][CH2:14][O:13]3)[cH:6][cH:7]1.[CH3:39][C:40](=[O:41])[CH3:42].[CH3:43][CH2:44][O:45][C:46]([CH3:47])=[O:48].[OH2:27].[c:28]1([CH3:29])[cH:30][cH:31][c:32]([S:33]([OH:34])(=[O:35])=[O:36])[cH:37][cH:38]1>>[Br:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([N:16]3[C:17](=[O:26])[c:18]4[cH:19][cH:20][cH:21][cH:22][c:23]4[C:24]3=[O:25])[CH2:9][C:10](=[O:12])[CH2:11]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 8857Ethyl AcetateHCID 582166062-(2-(4-Bromophenyl)-5,8-dioxaspiro[3.4]octan-2-yl)isoindoline-1,3-dione

Product 1

HCID 582165742-(1-(4-Bromophenyl)-3-oxocyclobutyl)isoindoline-1,3-dione

Sources & evidence

ORD record
ord-c8357faa8f914526b3a8fee539136f47
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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