HRID318774

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

2 次

HCID69860

2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-

C6H8N2O3

结构：C=CCOc1c(Cl)cc(C(=O)NC(C)C(=O)N2CCCC2C(=O)NC2CC(=O)OC2OCC)cc1Cl

HCID22977487

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

结构：CCOC1OC(=O)CC1NC(=O)C1CCCN1C(=O)C(C)NC(=O)c1cc(Cl)c(O)c(Cl)c1

HCID22977463

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bf845b62083f427bacada5c69de2ce88
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][CH:4]1[O:5][C:6](=[O:36])[CH2:7][CH:8]1[NH:9][C:10](=[O:11])[CH:12]1[N:13]([C:17]([CH:18]([CH3:19])[NH:20][C:21]([c:22]2[cH:23][c:24]([Cl:33])[c:25]([O:29][CH2:30][CH:31]=[CH2:32])[c:26]([Cl:28])[cH:27]2)=[O:34])=[O:35])[CH2:14][CH2:15][CH2:16]1.[CH3:37][N:38]1[C:39](=[O:40])[CH2:41][C:42](=[O:43])[N:44]([CH3:45])[C:46]1=[O:47].[CH3:51][OH:52].[Cl:48][CH2:49][Cl:50].[Cl:53][CH2:54][Cl:55].[cH:56]1[cH:57][cH:58][c:59]([P:60]([Pd:61]([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[P:100]([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)([c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[cH:131][cH:132]1>>[CH2:1]([CH3:2])[O:3][CH:4]1[O:5][C:6](=[O:36])[CH2:7][CH:8]1[NH:9][C:10](=[O:11])[CH:12]1[N:13]([C:17]([CH:18]([CH3:19])[NH:20][C:21]([c:22]2[cH:23][c:24]([Cl:33])[c:25]([OH:29])[c:26]([Cl:28])[cH:27]2)=[O:34])=[O:35])[CH2:14][CH2:15][CH2:16]1