HRID687193

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：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1ccccn1

HCID607784

2-(Tributylstannyl)pyridine

C17H31NSn

HCID51041427

未命名化合物

HCID66637192

未命名化合物

PRODUCTS

生成物

结构：Cc1c(-c2ccccn2)c(F)c2oc(C3CC3)nc2c1C#N

HCID51042333

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c47df313e054c6d9af4ba1666502b5b
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]([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:37]([C:38]1([CH3:39])[C:40]([OH:41])=[C:42]([C:43]([CH3:44])([CH3:45])[CH3:46])[CH:47]=[CH:48][CH2:49]1)([CH3:50])([CH3:51])[CH3:52].[CH2:18]([Sn:19]([CH2:20][CH2:21][CH2:22][CH3:29])([c:23]1[n:24][cH:25][cH:26][cH:27][cH:28]1)[CH2:30][CH2:31][CH2:32][CH3:33])[CH2:34][CH2:35][CH3:36].[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[Pd:60]([Cl:61])[Cl:62].[c:63]1([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[cH:77][cH:78][cH:79][cH:80][cH:81]1.[c:82]1([P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[cH:96][cH:97][cH:98][cH:99][cH:100]1>>[c:2]1(-[c:23]2[n:24][cH:25][cH:26][cH:27][cH:28]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]