HRID675584

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID2762901

5-phenylpyridin-3-amine

C11H10N2

结构：CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1

HCID11155794

2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl

C33H49P

HCID67432057

未命名化合物

PRODUCTS

生成物

结构：CCCCN1Cc2cc(Nc3cncc(-c4ccccc4)c3)ccc2C1=O

HCID53477130

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-929aea240e9b40afab4f0b8d0a421b49
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

[Br:1][c:2]1[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[C:7](=[O:11])[N:6]([CH2:12][CH2:13][CH2:14][CH3:15])[CH2:5]2.[C:29](=[O:30])([O-:31])[O-:32].[C:76]([O-:77])(=[O:78])[CH3:79].[C:81]([O-:82])(=[O:83])[CH3:84].[CH3:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[CH3:85][CH2:86][O:87][C:88](=[O:89])[CH3:90].[CH:35]1([P:36]([CH:37]2[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2-[c:49]2[c:50]([CH:51]([CH3:52])[CH3:53])[cH:54][c:55]([CH:56]([CH3:57])[CH3:58])[cH:59][c:60]2[CH:61]([CH3:62])[CH3:63])[CH2:64][CH2:65][CH2:66][CH2:67][CH2:68]1.[Cs+:33].[Cs+:34].[OH2:91].[Pd+2:80].[c:16]1(-[c:22]2[cH:23][c:24]([NH2:28])[cH:25][n:26][cH:27]2)[cH:17][cH:18][cH:19][cH:20][cH:21]1>>[c:2]1([NH:28][c:24]2[cH:23][c:22](-[c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[cH:27][n:26][cH:25]2)[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[C:7](=[O:11])[N:6]([CH2:12][CH2:13][CH2:14][CH3:15])[CH2:5]2