HRID1217246

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID5975

Cyanide

CN-

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID32051

Zinc (II) cation

Zn+2

HCID4066917

未命名化合物

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

结构：COC(=O)c1cc(-c2ccccc2)nc2ccc(C#N)cc12

HCID67204437

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cd60138055174b96b67ad5ebb8d093de
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C-:29]#[N:30].[C-:32]#[N:33].[CH3:1][N:2]([CH3:3])[CH:4]=[O:5].[CH3:6][O:7][C:8](=[O:9])[c:10]1[cH:11][c:12](-[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[n:13][c:14]2[cH:15][cH:16][c:17]([Br:20])[cH:18][c:19]12.[Cl-:28].[Na+:27].[OH2:111].[Zn+2:31].[cH:34]1[cH:35][cH:36][c:37]([P:38]([Pd:39]([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[cH:109][cH:110]1>>[C:1](#[N:2])[c:17]1[cH:16][cH:15][c:14]2[n:13][c:12](-[c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[cH:11][c:10]([C:8]([O:7][CH3:6])=[O:9])[c:19]2[cH:18]1