HRID1224489

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID24350

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

CuI

HCID28179

Fluoride

F-

HCID104967

Cesium(1+)

Cs+

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1ccccn1

HCID607784

2-(Tributylstannyl)pyridine

C17H31NSn

HCID59187390

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)c1cc(-c2cncc(Cl)c2)cnc1-c1ccccn1

HCID59187377

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4114a8d94300439cbc3cf1afb421ff27
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

[CH2:19]([Sn:20]([CH2:21][CH2:22][CH2:23][CH3:30])([c:24]1[n:25][cH:26][cH:27][cH:28][cH:29]1)[CH2:31][CH2:32][CH2:33][CH3:34])[CH2:35][CH2:36][CH3:37].[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[Cl:1][c:2]1[cH:3][c:4](-[c:8]2[cH:9][n:10][c:11]([Cl:18])[c:12]([C:14](=[O:15])[O:16][CH3:17])[cH:13]2)[cH:5][n:6][cH:7]1.[Cs+:39].[Cu:51][I:52].[F-:38].[cH:53]1[cH:54][cH:55][c:56]([P:57]([Pd:58]([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([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)([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([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)[P:97]([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([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)[cH:128][cH:129]1>>[Cl:1][c:2]1[cH:3][c:4](-[c:8]2[cH:9][n:10][c:11](-[c:24]3[n:25][cH:26][cH:27][cH:28][cH:29]3)[c:12]([C:14](=[O:15])[O:16][CH3:17])[cH:13]2)[cH:5][n:6][cH:7]1