HRID291122

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID4574913

未命名化合物

结构：COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID11269872

2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl

C26H35O2P

HCID66735161

未命名化合物

HCID86614164

1-Chloro-6,7-dihydro-4-phenyl-5H-cyclopenta[d]pyridazine

C13H11ClN2

PRODUCTS

生成物

结构：CNc1cc(-c2cccnc2Oc2ccc(Nc3nnc(-c4ccccc4)c4c3CCC4)cc2)ccn1

HCID57756249

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b14d9d26975d49b1bcffa86540799716
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

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