HRID106140

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8083

Morpholine

C4H9NO

HCID8857

Ethyl acetate

C4H8O2

HCID12380

Octane, 1-iodo-

C8H17I

HCID19660

Carbonate

CO3-2

HCID26103

8-Chloro-9H-purine-2,6-diol

C5H3ClN4O2

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

结构：CCCCCCCCn1c(=O)[nH]c(=O)c2[nH]c(Cl)nc21

HCID59299546

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f73ebec7b8e418693cd14fb99d82bcf
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

[CH2:28]1[NH:29][CH2:30][CH2:31][O:32][CH2:33]1.[CH3:117][CH2:118][O:119][C:120]([CH3:121])=[O:122].[Cl:1][c:2]1[n:3][c:4]2[nH:5][c:6](=[O:12])[nH:7][c:8](=[O:11])[c:9]2[nH:10]1.[ClH:34].[I:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH3:27].[Na+:13].[Na+:14].[O-:15][C:16](=[O:17])[O-:18].[O:35]=[CH:36][N:37]([CH3:38])[CH3:39].[cH:40]1[cH:41][cH:42][c:43]([P:44]([Pd:45]([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([P:65]([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)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[P:84]([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)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[cH:115][cH:116]1>>[Cl:1][c:2]1[n:3][c:4]2[n:5]([CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH3:27])[c:6](=[O:12])[nH:7][c:8](=[O:11])[c:9]2[nH:10]1