HRID145199

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID12372797

未命名化合物

结构：COC(=O)COc1ccc(OCC=C(c2ccc(Cl)cc2)c2ccc(I)cc2)cc1C

HCID91352668

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：COC(=O)COc1ccc(OCC=C(c2ccc(Cl)cc2)c2ccc(C#CCNC3CC3)cc2)cc1C

HCID90889947

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f79c3aaa0efb49a19e52433a4280f1f8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[CH:1]1([NH:4][CH2:5][C:6]#[CH:7])[CH2:2][CH2:3]1.[Cl:51][CH2:52][Cl:53].[Cl:8][c:9]1[cH:10][cH:11][c:12]([C:15](=[CH:16][CH2:17][O:18][c:19]2[cH:20][c:21]([CH3:31])[c:22]([O:23][CH2:24][C:25](=[O:26])[O:27][CH3:28])[cH:29][cH:30]2)[c:32]2[cH:33][cH:34][c:35]([I:38])[cH:36][cH:37]2)[cH:13][cH:14]1.[Cu:54][I:55].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[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>>[CH:1]1([NH:4][CH2:5][C:6]#[C:7][c:35]2[cH:34][cH:33][c:32]([C:15]([c:12]3[cH:11][cH:10][c:9]([Cl:8])[cH:14][cH:13]3)=[CH:16][CH2:17][O:18][c:19]3[cH:20][c:21]([CH3:31])[c:22]([O:23][CH2:24][C:25](=[O:26])[O:27][CH3:28])[cH:29][cH:30]3)[cH:37][cH:36]2)[CH2:2][CH2:3]1