HRID196275

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5975

Cyanide

CN-

2 次

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID32051

Zinc (II) cation

Zn+2

结构：CC(C)(C)c1cc(Br)c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O

HCID57567323

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：CC(C)(C)c1cc(C#N)c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O

HCID86604206

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aba7ca6fdd484b8883ab8e38f2cc8931
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C-:34]#[N:35].[C-:37]#[N:38].[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([Br:26])[c:8]([NH:12][C:13](=[O:14])[c:15]2[cH:16][nH:17][c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]3[c:24]2=[O:25])[cH:9][c:10]1[OH:11].[CH3:27][N:28]1[CH2:29][CH2:30][CH2:31][C:32]1=[O:33].[Zn+2:36].[cH:39]1[cH:40][cH:41][c:42]([P:43]([Pd:44]([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)([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)([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([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)[P:83]([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)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[cH:114][cH:115]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([C:27]#[N:28])[c:8]([NH:12][C:13](=[O:14])[c:15]2[cH:16][nH:17][c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]3[c:24]2=[O:25])[cH:9][c:10]1[OH:11]