HRID1115472

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID24350

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

CuI

HCID28179

Fluoride

F-

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1cc(SC)nc(C)n1

HCID59548280

未命名化合物

HCID86647065

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：COc1ncc(Nc2ncc(Cl)nc2-c2cc(SC)nc(C)n2)cc1F

HCID86647066

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c25ed6f5acda47c2b3be5becdc1ddc05
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][c:2]1[c:3]([NH:9][c:10]2[cH:11][n:12][c:13]([O:17][CH3:18])[c:14]([F:16])[cH:15]2)[n:4][cH:5][c:6]([Cl:8])[n:7]1.[CH3:19][c:20]1[n:21][c:22]([Sn:28]([CH2:29][CH2:30][CH2:31][CH3:32])([CH2:33][CH2:34][CH2:35][CH3:36])[CH2:37][CH2:38][CH2:39][CH3:40])[cH:23][c:24]([S:26][CH3:27])[n:25]1.[Cs+:42].[Cu:50][I:51].[F-:41].[O:43]1[CH2:44][CH2:45][O:46][CH2:47][CH2:48]1.[OH2:49].[cH:52]1[cH:53][cH:54][c:55]([P:56]([Pd:57]([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([P:77]([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)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[P:96]([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)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)([c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[cH:127][cH:128]1>>[c:2]1(-[c:22]2[n:21][c:20]([CH3:19])[n:25][c:24]([S:26][CH3:27])[cH:23]2)[c:3]([NH:9][c:10]2[cH:11][n:12][c:13]([O:17][CH3:18])[c:14]([F:16])[cH:15]2)[n:4][cH:5][c:6]([Cl:8])[n:7]1