HRID959670

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

HCID7237

o-Xylene

C8H10

HCID8857

Ethyl acetate

C4H8O2

HCID8900

Heptane

C7H16

HCID19660

Carbonate

CO3-2

HCID78344

Pyrimidine, 5-bromo-

C4H3BrN2

HCID105144

Palladium(2+)

Pd+2

HCID317738

3-amino-6-methyl-pyrazine-2-carboxylic acid ethyl ester

C8H11N3O2

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

PRODUCTS

生成物

HCID67300184

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f4e446bc24b74e8f8bb4b50616c04e50
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:14][c:15]1[cH:16][n:17][cH:18][n:19][cH:20]1.[C:21](=[O:22])([O-:23])[O-:24].[C:87]([O:88][CH2:89][CH3:90])(=[O:91])[CH3:92].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7][c:8]([CH3:13])[cH:9][n:10][c:11]1[NH2:12].[CH3:93][CH2:94][CH2:95][CH2:96][CH2:97][CH2:98][CH3:99].[K+:25].[K+:26].[O-:79][C:80]([CH3:81])=[O:82].[O-:83][C:84]([CH3:85])=[O:86].[OH2:77].[Pd+2:78].[c:27]1([P:28]([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:35]2[c:36]3[c:60]([cH:61][cH:62][cH:63]2)[C:57]([CH3:58])([CH3:59])[c:39]2[c:38]([c:43]([P:44]([c:45]4[cH:46][cH:47][cH:48][cH:49][cH:50]4)[c:51]4[cH:52][cH:53][cH:54][cH:55][cH:56]4)[cH:42][cH:41][cH:40]2)[O:37]3)[cH:64][cH:65][cH:66][cH:67][cH:68]1.[c:69]1([CH3:70])[c:71]([CH3:72])[cH:73][cH:74][cH:75][cH:76]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7][c:8]([CH3:13])[cH:9][n:10][c:11]1[NH:12][c:15]1[cH:16][n:17][cH:18][n:19][cH:20]1