HRID208768

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID8010

Malononitrile

C3H2N2

HCID8028

Tetrahydrofuran

C4H8O

HCID23938

Palladium

2 次

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID166653

Hydride

H-

结构：CC(C)c1cccc(C(C)C)c1-n1cc[n+](-c2c(C(C)C)cccc2C(C)C)c1

HCID2734914

未命名化合物

HCID4200996

2-Chloro-5-iodotoluene

C7H6ClI

PRODUCTS

生成物

HCID86665179

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8a1bf92eb1f54127af73d691b72c5f95
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

[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH:9]([c:10]1[cH:11][cH:12][cH:13][c:14]([CH:15]([CH3:16])[CH3:17])[c:18]1-[n+:19]1[cH:20][cH:21][n:22](-[c:23]2[c:24]([CH:25]([CH3:26])[CH3:27])[cH:28][cH:29][cH:30][c:31]2[CH:32]([CH3:33])[CH3:34])[cH:35]1)([CH3:36])[CH3:37].[Cl-:8].[Cl:38][c:39]1[c:40]([CH3:46])[cH:41][c:42]([I:45])[cH:43][cH:44]1.[H-:7].[N:1]#[C:2][CH2:3][C:4]#[N:5].[Na+:6].[O:54]=[C:55]([CH:56]=[CH:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1)[CH:64]=[CH:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1.[O:72]=[C:73]([CH:74]=[CH:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1)[CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1.[O:90]=[C:91]([CH:92]=[CH:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1)[CH:100]=[CH:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1.[Pd:52].[Pd:53]>>[N:1]#[C:2][CH:3]([C:4]#[N:5])[c:42]1[cH:41][c:40]([CH3:46])[c:39]([Cl:38])[cH:44][cH:43]1