HRID678104

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID1140

Toluene

C7H8

HCID28179

Fluoride

F-

HCID66827

Boronic acid, phenyl-

C6H7BO2

HCID10125134

3-bromo-4-chloro-1,2,5-thiadiazole

C2BrClN2S

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

HCID2764044

3-chloro-4-phenyl-1,2,5-thiadiazole

C8H5ClN2S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bddff8769e7145e4a54af589a45745a4
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[n:3][s:4][n:5][c:6]1[Cl:7].[CH3:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1.[F-:17].[K+:18].[OH:8][B:9]([OH:10])[c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1.[cH:26]1[cH:27][cH:28][c:29]([P:30]([Pd:31]([P:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[cH:101][cH:102]1>>[c:2]1(-[c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[n:3][s:4][n:5][c:6]1[Cl:7]