HRID2157191

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID6212

Chloroform

CHCl3

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

结构：c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1

HCID634876

2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl

C44H32P2

HCID4574913

未命名化合物

HCID37818722

5-Bromopyrazine-2-carbonitrile

C5H2BrN3

HCID59613481

未命名化合物

PRODUCTS

生成物

结构：CN1CCC(Nc2cc(Nc3cnc(C#N)cn3)ncc2-c2ccccc2)CC1

HCID59613444

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7aaa79f3ee084205801039bb3cbfb387
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

[Br:22][c:23]1[n:24][cH:25][c:26]([C:29]#[N:30])[n:27][cH:28]1.[CH3:1][N:2]1[CH2:3][CH2:4][CH:5]([NH:8][c:9]2[cH:10][c:11]([NH2:21])[n:12][cH:13][c:14]2-[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH2:6][CH2:7]1.[CH3:77][C:78]([CH3:79])([O-:80])[CH3:81].[CH3:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1.[CH:146]([Cl:147])([Cl:148])[Cl:149].[Na+:82].[O:110]=[C:111]([CH:112]=[CH:113][c:114]1[cH:115][cH:116][cH:117][cH:118][cH:119]1)[CH:120]=[CH:121][c:122]1[cH:123][cH:124][cH:125][cH:126][cH:127]1.[O:128]=[C:129]([CH:130]=[CH:131][c:132]1[cH:133][cH:134][cH:135][cH:136][cH:137]1)[CH:138]=[CH:139][c:140]1[cH:141][cH:142][cH:143][cH:144][cH:145]1.[O:92]=[C:93]([CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1)[CH:102]=[CH:103][c:104]1[cH:105][cH:106][cH:107][cH:108][cH:109]1.[Pd:90].[Pd:91].[cH:31]1[cH:32][cH:33][c:34]([P:35]([c:36]2[cH:37][cH:38][c:39]3[c:40]([cH:41][cH:42][cH:43][cH:44]3)[c:45]2-[c:46]2[c:47]3[c:48]([cH:49][cH:50][cH:51][cH:52]3)[cH:53][cH:54][c:55]2[P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[cH:75][cH:76]1>>[CH3:1][N:2]1[CH2:3][CH2:4][CH:5]([NH:8][c:9]2[cH:10][c:11]([NH:21][c:23]3[n:24][cH:25][c:26]([C:29]#[N:30])[n:27][cH:28]3)[n:12][cH:13][c:14]2-[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH2:6][CH2:7]1