HRID2142674

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID5975

Cyanide

CN-

2 次

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID32051

Zinc (II) cation

Zn+2

结构：COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccccc1

HCID44451690

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)c1c(-c2ccccc2)c2cc(C#N)ccc2c(=O)n1Cc1ccccc1

HCID69156992

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fbae797736b544df8ea69c26014f4a70
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C-:37]#[N:38].[C-:40]#[N:41].[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6]([CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:7](=[O:22])[c:8]2[cH:9][cH:10][c:11]([Br:21])[cH:12][c:13]2[c:14]1-[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1.[CH3:30][N:31]1[CH2:32][CH2:33][CH2:34][C:35]1=[O:36].[OH2:119].[Zn+2:39].[cH:42]1[cH:43][cH:44][c:45]([P:46]([Pd:47]([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[P:86]([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)([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[cH:117][cH:118]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6]([CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:7](=[O:22])[c:8]2[cH:9][cH:10][c:11]([C:30]#[N:31])[cH:12][c:13]2[c:14]1-[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1