HRID1575408

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID23938

Palladium

2 次

HCID28486

Lithium ion

Li+

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

HCID3280088

未命名化合物

HCID18959674

2,2-Dimethylmorpholine

C6H13NO

结构：NC1=NC2(CO1)c1cc(O)ccc1Oc1ccc(Br)cc12

HCID58466159

未命名化合物

PRODUCTS

生成物

结构：CC1(C)CN(c2ccc3c(c2)C2(COC(N)=N2)c2cc(O)ccc2O3)CCO1

HCID67241770

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-56251da6fabc4836a726c3bd8d704ffb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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