HRID171697

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID31275

1,4-Dioxane

C4H8O2

HCID31404

Butylated hydroxytoluene

C15H24O

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1cccs1

HCID2779373

2-(Tributylstannyl)thiophene

C16H30SSn

HCID51041427

未命名化合物

PRODUCTS

生成物

结构：Cc1c(-c2cccs2)c(F)c2oc(C3CC3)nc2c1C#N

HCID68585976

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7894f0907ec84fc69429bf974c981e8d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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