HRID95726

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID69860

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

C6H8N2O3

HCID81531

Diisopropylethylamine

C8H19N

结构：C=CCOC(=O)N(Cc1cccc(-c2ccnc(NCCc3ccc(O)c(Cl)c3)n2)c1)C(C)(C)C

HCID67045639

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：CC(C)(C)NCc1cccc(-c2ccnc(NCCc3ccc(O)c(Cl)c3)n2)c1

HCID58603563

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc22de5d55e4465f8b32882859b4b2b8
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

[CH2:1]([O:2][C:3](=[O:4])[N:6]([CH2:7][c:8]1[cH:9][c:10](-[c:14]2[n:15][c:16]([NH:20][CH2:21][CH2:22][c:23]3[cH:24][c:25]([Cl:30])[c:26]([OH:29])[cH:27][cH:28]3)[n:17][cH:18][cH:19]2)[cH:11][cH:12][cH:13]1)[C:31]([CH3:32])([CH3:33])[CH3:34])[CH:5]=[CH2:35].[CH2:56]([Cl:57])[Cl:58].[CH3:45][N:46]1[C:47](=[O:48])[CH2:49][C:50](=[O:51])[N:52]([CH3:53])[C:54]1=[O:55].[CH:36]([N:37]([CH:38]([CH3:39])[CH3:40])[CH2:41][CH3:42])([CH3:43])[CH3:44].[cH:59]1[cH:60][cH:61][c:62]([P:63]([Pd:64]([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)[P:103]([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)[c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)[cH:134][cH:135]1>>[NH:6]([CH2:7][c:8]1[cH:9][c:10](-[c:14]2[n:15][c:16]([NH:20][CH2:21][CH2:22][c:23]3[cH:24][c:25]([Cl:30])[c:26]([OH:29])[cH:27][cH:28]3)[n:17][cH:18][cH:19]2)[cH:11][cH:12][cH:13]1)[C:31]([CH3:32])([CH3:33])[CH3:34]