HRID2157026

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID7237

o-Xylene

C8H10

HCID19660

Carbonate

CO3-2

HCID78344

Pyrimidine, 5-bromo-

C4H3BrN2

HCID105144

Palladium(2+)

Pd+2

结构：CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21

HCID636044

1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)

C39H32OP2

HCID67299907

Ethyl 3-amino-6-cyclopropylpyridine-2-carboxylate

C11H14N2O2

PRODUCTS

生成物

HCID58368056

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-50c6705e575c43509e142a6e6b295133
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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