HRID1122320

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID2736842

Methyl 2-chloroisonicotinate

C7H6ClNO2

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

HCID178505697

未命名化合物

PRODUCTS

生成物

HCID66731557

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-48b6a076b6cb452da9c6f09f69d30df6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:22]1[O:23][CH2:24][CH2:25][CH2:26]1.[Cl-:12].[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][cH:10][n:11]1.[F:13][c:14]1[cH:15][c:16]([CH2:17][Zn+:18])[cH:19][cH:20][cH:21]1.[cH:27]1[cH:28][cH:29][c:30]([P:31]([Pd:32]([P:33]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)([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)[P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([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)([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[cH:102][cH:103]1>>[c:2]1([CH2:17][c:16]2[cH:15][c:14]([F:13])[cH:21][cH:20][cH:19]2)[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][cH:10][n:11]1