HRID702021

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

HCID6343

Ethanethiol

C2H6S

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID105144

Palladium(2+)

Pd+2

HCID4574913

未命名化合物

HCID16102683

tert-Butyl 5-bromo-1,3-dihydro-2H-isoindole-2-carboxylate

C13H16BrNO2

PRODUCTS

生成物

HCID57753600

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-912f534a27894ca8911865a4565d4190
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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