HRID106253

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID601401

2,4-Dichloro-5-methoxypyrimidine

C5H4Cl2N2O

结构：CC1(C)OB(c2cnn(C(CC#N)C3CC3)c2)OC1(C)C

HCID67458056

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

HCID86637303

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-02df8e42333b41b69f43867eff0c95d1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:40]1[O:41][CH2:42][CH2:43][O:44][CH2:45]1.[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[CH:11]1([CH:14]([CH2:15][C:16]#[N:17])[n:18]2[n:19][cH:20][c:21]([B:23]3[O:24][C:25]([CH3:26])([CH3:27])[C:28]([CH3:29])([CH3:30])[O:31]3)[cH:22]2)[CH2:12][CH2:13]1.[Cl:1][c:2]1[n:3][cH:4][c:5]([O:9][CH3:10])[c:6]([Cl:8])[n:7]1.[K+:37].[K+:38].[K+:39].[OH2:46].[P:32]([O-:33])([O-:34])([O-:35])=[O:36].[cH:53]1[cH:54][cH:55][c:56]([P:57]([Pd:58]([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[P:97]([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[cH:128][cH:129]1>>[Cl:1][c:2]1[n:3][cH:4][c:5]([O:9][CH3:10])[c:6](-[c:21]2[cH:20][n:19][n:18]([CH:14]([CH:11]3[CH2:12][CH2:13]3)[CH2:15][C:16]#[N:17])[cH:22]2)[n:7]1