Water → 2-(2,6-Dioxopiperidin-3-yl)-4-[[4-[[4-(trifluoromethylsulfonyl)piperazin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione

HRID 2333032Notes

Reaction equation

HRID 2333032 reaction equation
[Br:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][O:8][c:9]2[c:10]3[c:14]([cH:15][cH:16][cH:17]2)[C:13](=[O:18])[N:12]([CH:19]2[C:20](=[O:26])[NH:21][C:22](=[O:25])[CH2:23][CH2:24]2)[C:11]3=[O:27])[cH:28][cH:29]1.[CH2:43]([N:44]([CH:45]([CH3:46])[CH3:47])[CH:48]([CH3:49])[CH3:50])[CH3:51].[Cl:52][CH2:53][Cl:54].[F:30][C:31]([S:32](=[O:33])(=[O:34])[N:35]1[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]1)([F:41])[F:42].[OH2:55]>>[CH2:2]([c:3]1[cH:4][cH:5][c:6]([CH2:7][O:8][c:9]2[c:10]3[c:14]([cH:15][cH:16][cH:17]2)[C:13](=[O:18])[N:12]([CH:19]2[C:20](=[O:26])[NH:21][C:22](=[O:25])[CH2:23][CH2:24]2)[C:11]3=[O:27])[cH:28][cH:29]1)[N:38]1[CH2:37][CH2:36][N:35]([S:32]([C:31]([F:30])([F:41])[F:42])(=[O:33])=[O:34])[CH2:40][CH2:39]1

Participants

6

Reactant 5

HCID 962WaterHCID 6344DichloromethaneHCID 81531DiisopropylethylamineHCID 186908331-((Trifluoromethyl)sulfonyl)piperazineHCID 673341024-[[4-(Bromomethyl)phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

Product 1

HCID 583892032-(2,6-Dioxopiperidin-3-yl)-4-[[4-[[4-(trifluoromethylsulfonyl)piperazin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione

Sources & evidence

ORD record
ord-98cc696cb636479f804e6a37f30703ab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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