HRID177179

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl Acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID22562851

1-(Propane-2-sulfonyl)piperazine

C7H16N2O2S

HCID58389196

未命名化合物

PRODUCTS

产物

HCID67334549

3-[3-oxo-7-[[4-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione

C28H34N4O6S

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d4c9e71e6a34403e9775afe2c8558306
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

[Br:23][CH2:24][c:25]1[cH:26][cH:27][c:28]([CH2:29][O:30][c:31]2[c:32]3[c:36]([cH:37][cH:38][cH:39]2)[C:35](=[O:40])[N:34]([CH:41]2[C:42](=[O:48])[NH:43][C:44](=[O:47])[CH2:45][CH2:46]2)[CH2:33]3)[cH:49][cH:50]1.[CH3:56][C:57]#[N:58].[CH3:59][CH2:60][O:61][C:62]([CH3:63])=[O:64].[CH:14]([N:15]([CH2:16][CH3:17])[CH:18]([CH3:19])[CH3:20])([CH3:21])[CH3:22].[CH:2]([CH3:3])([CH3:4])[S:5](=[O:6])(=[O:7])[N:8]1[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]1.[ClH:1].[Na+:55].[O-:51][C:52]([OH:53])=[O:54]>>[CH:2]([CH3:3])([CH3:4])[S:5](=[O:6])(=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([CH2:24][c:25]2[cH:26][cH:27][c:28]([CH2:29][O:30][c:31]3[c:32]4[c:36]([cH:37][cH:38][cH:39]3)[C:35](=[O:40])[N:34]([CH:41]3[C:42](=[O:48])[NH:43][C:44](=[O:47])[CH2:45][CH2:46]3)[CH2:33]4)[cH:49][cH:50]2)[CH2:12][CH2:13]1