HRID2328345

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID32051

Zinc (II) cation

Zn+2

HCID67872

Benzene, 1-bromo-4-(trifluoromethyl)-

C7H4BrF3

HCID10821026

4-chlorobenzothiazole

C7H4ClNS

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

HCID58003550

4-[4-(Trifluoromethyl)phenyl]benzothiazole

C14H8F3NS

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-49649193f2cf48439bccef59527274e1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([C:8]([F:9])([F:10])[F:11])[cH:6][cH:7]1.[CH2:22]1[O:23][CH2:24][CH2:25][CH2:26]1.[Cl-:27].[Cl-:29].[Cl:12][c:13]1[cH:14][cH:15][cH:16][c:17]2[c:18]1[n:19][cH:20][s:21]2.[Zn+2:28].[cH:30]1[cH:31][cH:32][c:33]([P:34]([Pd:35]([P:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[P:74]([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)([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[cH:105][cH:106]1>>[c:2]1(-[c:13]2[cH:14][cH:15][cH:16][c:17]3[c:18]2[n:19][cH:20][s:21]3)[cH:3][cH:4][c:5]([C:8]([F:9])([F:10])[F:11])[cH:6][cH:7]1