HRID304077

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

结构：CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID2734217

2-Dicyclohexylphosphino-2'-(N,N-dimethylamino)biphenyl

C26H36NP

HCID52987927

未命名化合物

HCID58942252

未命名化合物

PRODUCTS

生成物

结构：CNc1cc(-c2cccnc2Nc2c(C)ccc3c(=O)[nH]ccc23)ncn1

HCID58942261

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-27f85c1e3d0b4f5a9f24676388bc74e6
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

[CH:29]1([P:30]([CH:31]2[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]2)[c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]2-[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2[N:49]([CH3:50])[CH3:51])[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]1.[CH:59](=[CH:60][C:61]([CH:62]=[CH:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1)=[O:70])[c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1.[CH:77](=[CH:78][C:79]([CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1)=[O:88])[c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1.[CH:95](=[CH:96][C:97]([CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1)=[O:106])[c:107]1[cH:108][cH:109][cH:110][cH:111][cH:112]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][cH:6][c:7]1-[c:8]1[cH:9][c:10]([NH:14][CH3:15])[n:11][cH:12][n:13]1.[NH2:16][c:17]1[c:18]2[cH:19][cH:20][nH:21][c:22](=[O:28])[c:23]2[cH:24][cH:25][c:26]1[CH3:27].[Pd:57].[Pd:58]>>[c:2]1([NH:16][c:17]2[c:18]3[cH:19][cH:20][nH:21][c:22](=[O:28])[c:23]3[cH:24][cH:25][c:26]2[CH3:27])[n:3][cH:4][cH:5][cH:6][c:7]1-[c:8]1[cH:9][c:10]([NH:14][CH3:15])[n:11][cH:12][n:13]1