HRID121620

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11560

3-Bromotoluene

C7H7Br

HCID23381

Benzonitrile, m-bromo-

C7H4BrN

HCID31275

1,4-Dioxane

C4H8O2

HCID178420554

未命名化合物

PRODUCTS

产物

HCID1393975

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-70b88ae0b3de42bd9c0e152a4c088a80
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[Br:10][c:11]1[cH:12][c:13]([CH3:17])[cH:14][cH:15][cH:16]1.[Br:1][c:2]1[cH:3][c:4]([C:5]#[N:6])[cH:7][cH:8][cH:9]1.[O:95]1[CH2:96][CH2:97][O:98][CH2:99][CH2:100]1.[cH:18]1[cH:19][cH:20][c:21]([P:22]([Pd:23]([P:24]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)([P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[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)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[cH:93][cH:94]1>>[c:2]1(-[c:11]2[cH:12][c:13]([CH3:17])[cH:14][cH:15][cH:16]2)[cH:3][c:4]([C:5]#[N:6])[cH:7][cH:8][cH:9]1