HRID690626

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

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1ccccc1

HCID607632

Stannane, tributylphenyl-

C18H32Sn

HCID66637192

未命名化合物

HCID68584745

未命名化合物

PRODUCTS

生成物

结构：COc1c(-c2ccccc2)c(C)c(C#N)c2nc(C3CC3)oc12

HCID68584856

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-34ba4f6595e84bc299c2e2f02ac03e4b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:1][c:2]1[c:3]([O:17][CH3:18])[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:38]([C:39]1([CH3:40])[C:41]([OH:42])=[C:43]([C:44]([CH3:45])([CH3:46])[CH3:47])[CH:48]=[CH:49][CH2:50]1)([CH3:51])([CH3:52])[CH3:53].[CH2:19]([Sn:20]([CH2:21][CH2:22][CH2:23][CH3:30])([c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[CH2:31][CH2:32][CH2:33][CH3:34])[CH2:35][CH2:36][CH3:37].[CH2:95]1[O:96][CH2:97][CH2:98][O:99][CH2:100]1.[Pd:54]([Cl:55])[Cl:56].[c:57]1([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[cH:71][cH:72][cH:73][cH:74][cH:75]1.[c:76]1([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[cH:90][cH:91][cH:92][cH:93][cH:94]1>>[c:2]1(-[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:3]([O:17][CH3:18])[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]