HRID1207086

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID24350

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

CuI

HCID186003

3-Ethynylpyridine

C7H5N

HCID44816768

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：COc1cc(-c2cnn(C)c2)cn2ncc(C#Cc3cccnc3)c12

HCID58404784

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cee7e6961d59419a855cd146b74653d5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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