HRID1222742

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

HCID31275

1,4-Dioxane

C4H8O2

HCID105144

Palladium(2+)

Pd+2

HCID4574913

未命名化合物

HCID7009500

3-Amino-6-chloro-2-picoline

C6H7ClN2

HCID11493357

未命名化合物

结构：CC(C)(C)P(c1cccc(-c2ccccc2)c1)C(C)(C)C

HCID67201513

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(Cl)ccc1Nc1ncnc(OC2CCN(C(=O)OC(C)C)CC2)c1C

HCID11247139

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b54aef20ec754e61942909fd5866daf2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:64]([O-:65])(=[O:66])[CH3:67].[C:69]([O-:70])(=[O:71])[CH3:72].[CH3:43][C:44]([CH3:45])([O-:46])[CH3:47].[CH:1]([CH3:2])([CH3:3])[O:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][CH:10]([O:13][c:14]2[n:15][cH:16][n:17][c:18]([Cl:21])[c:19]2[CH3:20])[CH2:11][CH2:12]1.[Cl:49][c:50]1[cH:51][cH:52][c:53]([NH2:57])[c:54]([CH3:56])[n:55]1.[Na+:48].[O:58]1[CH2:59][CH2:60][O:61][CH2:62][CH2:63]1.[Pd+2:68].[c:22]1(-[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:29][cH:30][cH:31][c:32]([P:33]([C:34]([CH3:35])([CH3:36])[CH3:37])[C:38]([CH3:39])([CH3:40])[CH3:41])[cH:42]1>>[CH:1]([CH3:2])([CH3:3])[O:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][CH:10]([O:13][c:14]2[n:15][cH:16][n:17][c:18]([NH:57][c:53]3[cH:52][cH:51][c:50]([Cl:49])[n:55][c:54]3[CH3:56])[c:19]2[CH3:20])[CH2:11][CH2:12]1