HRID1560024

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

HCID5103408

2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C11H15BClNO2

结构：CC(C)(C)OC(=O)N1CC2CC1CN2c1nc(Cl)nc2ccccc12

HCID57832721

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC2CC1CN2c1nc(-c2ccnc(Cl)c2)nc2ccccc12

HCID57832705

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-96ec81b7afaf48d082a00ebdd18ed88a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]2[CH2:10][N:11]([c:15]3[n:16][c:17]([Cl:25])[n:18][c:19]4[cH:20][cH:21][cH:22][cH:23][c:24]34)[CH:12]([CH2:13]1)[CH2:14]2.[C:64](=[O:65])([O-:66])[O-:67].[C:79]([O-:80])(=[O:81])[CH3:82].[C:84]([O-:85])(=[O:86])[CH3:87].[CH2:76]([Cl:77])[Cl:78].[CH3:70][O:71][CH2:72][CH2:73][O:74][CH3:75].[Cl:48][c:49]1[n:50][cH:51][cH:52][c:53]([B:55]2[O:56][C:57]([CH3:58])([CH3:59])[C:60]([CH3:61])([CH3:62])[O:63]2)[cH:54]1.[Na+:68].[Na+:69].[Pd+2:83].[c:26]1([CH3:27])[cH:28][cH:29][cH:30][cH:31][c:32]1[P:33]([c:34]1[cH:35][cH:36][cH:37][cH:38][c:39]1[CH3:40])[c:41]1[cH:42][cH:43][cH:44][cH:45][c:46]1[CH3:47]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]2[CH2:10][N:11]([c:15]3[n:16][c:17](-[c:53]4[cH:52][cH:51][n:50][c:49]([Cl:48])[cH:54]4)[n:18][c:19]4[cH:20][cH:21][cH:22][cH:23][c:24]34)[CH:12]([CH2:13]1)[CH2:14]2