HRID188429

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

结构：C=[C](OCC)[Sn]([CH2]CCC)([CH2]CCC)[CH2]CCC

HCID619414

Tributyl(1-ethoxyvinyl)stannane

C16H34OSn

HCID66637192

未命名化合物

HCID68584978

未命名化合物

PRODUCTS

生成物

结构：C=C(OCC)c1c(C)c(C#N)c2nc(N(C)C)oc2c1F

HCID68585591

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7e6477253d174e1a9a11b55abd8a4bc3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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