HRID2123492

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

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-767fd5ae53f74e7f8c69fde140349b20
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

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].[CH2:45]([Cl:46])[Cl:47].[CH:36]([N:37]([CH:38]([CH3:39])[CH3:40])[CH2:41][CH3:42])([CH3:43])[CH3:44].[cH:48]1[cH:49][cH:50][c:51]([P:52]([Pd:53]([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[P:92]([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[cH:123][cH:124]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]