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

HRID 188548Notes

Reaction equation

HRID 188548 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.[CH3:43][C:44](=[O:45])[CH3:46].[Na+:42].[O-:38][C:39]([OH:40])=[O:41].[c:27]1([CH3:28])[cH:29][cH:30][c:31]([S:32]([OH:33])(=[O:34])=[O:35])[cH:36][cH:37]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 769Bicarbonate IonHCID 923Sodium ionHCID 6101p-Toluenesulfonic acidHCID 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-a365ff10a64f4a0f904259cc9938701e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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