HRID2316129

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID31275

1,4-Dioxane

C4H8O2

结构：CCC[CH2][Sn]([C]#N)([CH2]CCC)[CH2]CCC

HCID200512

Stannanecarbonitrile, tributyl-

C13H27NSn

结构：Ic1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1

HCID21951950

未命名化合物

PRODUCTS

生成物

结构：N#Cc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1

HCID22609759

4-[[4-(Phenylmethoxy)phenyl]amino]-6-quinazolinecarbonitrile

C22H16N4O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6fec877fe71e43b1b257ecef25d777cc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([NH:15][c:16]2[n:17][cH:18][n:19][c:20]3[cH:21][cH:22][c:23]([I:26])[cH:24][c:25]23)[cH:13][cH:14]1.[CH2:27]([Sn:28]([CH2:29][CH2:30][CH2:31][CH3:32])([CH2:33][CH2:34][CH2:35][CH3:36])[C:40]#[N:41])[CH2:37][CH2:38][CH3:39].[O:42]1[CH2:43][CH2:44][O:45][CH2:46][CH2:47]1.[Pd:48].[c:106]1([P:107]([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][cH:122][cH:123][cH:124]1.[c:49]1([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[cH:63][cH:64][cH:65][cH:66][cH:67]1.[c:68]1([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[cH:82][cH:83][cH:84][cH:85][cH:86]1.[c:87]1([P:88]([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[cH:101][cH:102][cH:103][cH:104][cH:105]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([NH:15][c:16]2[n:17][cH:18][n:19][c:20]3[cH:21][cH:22][c:23]([C:40]#[N:41])[cH:24][c:25]23)[cH:13][cH:14]1