HRID939201

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8021

Diethylamine

C4H11N

HCID11776

Triphenylphosphine

C18H15P

3 次

HCID13566

3-Butyn-1-ol

C4H6O

HCID24290

未命名化合物

HCID24350

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

CuI

结构：N#Cc1c(O)c2c(-c3ccc(Br)cc3)csc2[nH]c1=O

HCID54696423

3-(4-Bromophenyl)-4-hydroxy-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile

C14H7BrN2O2S

PRODUCTS

生成物

结构：N#Cc1c(O)c2c(-c3ccc(C#CCCO)cc3)csc2[nH]c1=O

HCID54689881

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-636d1e70a725492cb0d17dc2bbd3a6d9
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][s:10][c:11]3[nH:12][c:13](=[O:20])[c:14]([C:18]#[N:19])[c:15]([OH:17])[c:16]23)[cH:6][cH:7]1.[CH2:45]([NH:46][CH2:47][CH3:48])[CH3:49].[Cu:55][I:56].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54].[OH:21][CH2:22][CH2:23][C:24]#[CH:25].[Pd:57]([Cl:58])[Cl:59].[c:26]1([P:27]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[cH:40][cH:41][cH:42][cH:43][cH:44]1.[c:60]1([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[cH:74][cH:75][cH:76][cH:77][cH:78]1.[c:79]1([P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[cH:93][cH:94][cH:95][cH:96][cH:97]1>>[c:2]1([C:25]#[C:24][CH2:23][CH2:22][OH:21])[cH:3][cH:4][c:5](-[c:8]2[cH:9][s:10][c:11]3[nH:12][c:13](=[O:20])[c:14]([C:18]#[N:19])[c:15]([OH:17])[c:16]23)[cH:6][cH:7]1