HRID302656

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID5975

Cyanide

CN-

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID32051

Zinc (II) cation

Zn+2

HCID21949121

4-Chloro-5-iodopyridin-2-amine

C5H4ClIN2

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

HCID21949219

6-Amino-4-chloro-3-pyridinecarbonitrile

C6H4ClN3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-389b277fe07e4f14849279e16c2c7427
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C-:18]#[N:19].[C-:21]#[N:22].[CH3:100][CH2:101][O:102][C:103](=[O:104])[CH3:105].[CH3:1][N:2]1[CH2:3][CH2:4][CH2:5][C:6]1=[O:7].[NH2:8][c:9]1[n:10][cH:11][c:12]([I:16])[c:13]([Cl:15])[cH:14]1.[NH4+:17].[Zn+2:20].[cH:23]1[cH:24][cH:25][c:26]([P:27]([Pd:28]([P:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)([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)([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[cH:98][cH:99]1>>[C:1](#[N:2])[c:12]1[cH:11][n:10][c:9]([NH2:8])[cH:14][c:13]1[Cl:15]