HRID116735

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7859

Propargyl alcohol

C3H4O

HCID8028

Tetrahydrofuran

C4H8O

HCID24350

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

CuI

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OC(=O)c1nc(N2CCc3cccc(C(=O)N(COCC[Si](C)(C)C)c4nc5ccccc5s4)c3C2)sc1I

HCID59447574

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)OC(=O)c1nc(N2CCc3cccc(C(=O)N(COCC[Si](C)(C)C)c4nc5ccccc5s4)c3C2)sc1C#CCO

HCID59447612

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4bb23c3ce4f04c7581a1160d41991e44
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

[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[CH:48]([N:49]([CH2:50][CH3:51])[CH:52]([CH3:53])[CH3:54])([CH3:55])[CH3:56].[Cl:62][CH2:63][Cl:64].[Cu:142][I:143].[OH:44][CH2:45][C:46]#[CH:47].[cH:65]1[cH:66][cH:67][c:68]([P:69]([Pd:70]([P:71]([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)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([P:90]([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)[P:109]([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)[c:134]2[cH:135][cH:136][cH:137][cH:138][cH:139]2)[cH:140][cH:141]1.[s:1]1[c:2]([N:10]([C:11](=[O:12])[c:13]2[cH:14][cH:15][cH:16][c:17]3[c:22]2[CH2:21][N:20]([c:23]2[s:24][c:25]([I:35])[c:26]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[n:27]2)[CH2:19][CH2:18]3)[CH2:36][O:37][CH2:38][CH2:39][Si:40]([CH3:41])([CH3:42])[CH3:43])[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[s:1]1[c:2]([N:10]([C:11](=[O:12])[c:13]2[cH:14][cH:15][cH:16][c:17]3[c:22]2[CH2:21][N:20]([c:23]2[s:24][c:25]([C:47]#[C:46][CH2:45][OH:44])[c:26]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[n:27]2)[CH2:19][CH2:18]3)[CH2:36][O:37][CH2:38][CH2:39][Si:40]([CH3:41])([CH3:42])[CH3:43])[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2