HRID86345

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

2 次

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID10893

Benzenamine, 4-iodo-

C6H6IN

HCID11776

Triphenylphosphine

C18H15P

HCID23938

Palladium

2 次

HCID32051

Zinc (II) cation

Zn+2

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID59426382

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CCCn1c(-c2ccc(N)cc2)c(C#N)c2ccc(OC)cc21

HCID59425942

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dea4860a44d04b798dbd339f563f5025
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

[CH2:115]1[O:116][CH2:117][CH2:118][CH2:119]1.[CH2:8]([Li:9])[CH2:10][CH2:11][CH3:12].[CH3:13][O:14][c:15]1[cH:16][cH:17][c:18]2[c:19]([C:27]#[N:28])[cH:20][n:21]([CH2:24][CH2:25][CH3:26])[c:22]2[cH:23]1.[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[Cl-:56].[Cl-:58].[I:29][c:30]1[cH:31][cH:32][c:33]([NH2:34])[cH:35][cH:36]1.[O:61]=[C:62]([CH:63]=[CH:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1)[CH:71]=[CH:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1.[O:79]=[C:80]([CH:81]=[CH:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1)[CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1.[O:97]=[C:98]([CH:99]=[CH:100][c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1)[CH:107]=[CH:108][c:109]1[cH:110][cH:111][cH:112][cH:113][cH:114]1.[Pd:59].[Pd:60].[Zn+2:57].[c:37]1([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[CH3:13][O:14][c:15]1[cH:16][cH:17][c:18]2[c:19]([C:27]#[N:28])[c:20](-[c:30]3[cH:31][cH:32][c:33]([NH2:34])[cH:35][cH:36]3)[n:21]([CH2:24][CH2:25][CH3:26])[c:22]2[cH:23]1