HRID178298

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID817630

3-Bromo-4-methylpyridine

C6H6BrN

结构：CC(C)S(=O)(=O)NC1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1

HCID46899971

未命名化合物

PRODUCTS

生成物

结构：Cc1ccncc1-c1ccc2c(c1)CC(NS(=O)(=O)C(C)C)C2

HCID11638499

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-85e5ae8e4c8643cb8b41cb55d32c8548
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:26][c:27]1[cH:28][n:29][cH:30][cH:31][c:32]1[CH3:33].[C:34](=[O:35])([O-:36])[O-:37].[C:59]([O-:60])(=[O:61])[CH3:62].[C:64]([O-:65])(=[O:66])[CH3:67].[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([c:9]2[cH:10][c:11]3[c:15]([cH:16][cH:17]2)[CH2:14][CH:13]([NH:18][S:19](=[O:20])(=[O:21])[CH:22]([CH3:23])[CH3:24])[CH2:12]3)[O:25]1.[Cs+:38].[Cs+:39].[O:68]1[CH2:69][CH2:70][O:71][CH2:72][CH2:73]1.[Pd+2:63].[c:40]1([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[c:9]1(-[c:27]2[cH:28][n:29][cH:30][cH:31][c:32]2[CH3:33])[cH:10][c:11]2[c:15]([cH:16][cH:17]1)[CH2:14][CH:13]([NH:18][S:19](=[O:20])(=[O:21])[CH:22]([CH3:23])[CH3:24])[CH2:12]2