HRID665032

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

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

HCID14660277

Isoquinolin-7-amine

C9H8N2

结构：CC(C)(C)OC(=O)N1Cc2cc(NC(=O)c3cccnc3Cl)ccc2C(C)(C)C1

HCID86603238

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1Cc2cc(NC(=O)c3cccnc3Nc3ccc4ccncc4c3)ccc2C(C)(C)C1

HCID68799969

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a29cfc6067d346faaacac364b00fd519
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[cH:11][c:12]([NH:20][C:21](=[O:22])[c:23]3[c:24]([Cl:29])[n:25][cH:26][cH:27][cH:28]3)[cH:13][cH:14][c:15]2[C:16]([CH3:18])([CH3:19])[CH2:17]1.[CH:41]1([P:42]([CH:43]2[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]2)[c:49]2[cH:50][cH:51][cH:52][cH:53][c:54]2-[c:55]2[cH:56][cH:57][cH:58][cH:59][c:60]2[N:61]([CH3:62])[CH3:63])[CH2:64][CH2:65][CH2:66][CH2:67][CH2:68]1.[NH2:30][c:31]1[cH:32][cH:33][c:34]2[cH:35][cH:36][n:37][cH:38][c:39]2[cH:40]1.[O:107]=[C:108]([CH:109]=[CH:110][c:111]1[cH:112][cH:113][cH:114][cH:115][cH:116]1)[CH:117]=[CH:118][c:119]1[cH:120][cH:121][cH:122][cH:123][cH:124]1.[O:71]=[C:72]([CH:73]=[CH:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1)[CH:81]=[CH:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1.[O:89]=[C:90]([CH:91]=[CH:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1)[CH:99]=[CH:100][c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1.[OH2:125].[Pd:69].[Pd:70]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[cH:11][c:12]([NH:20][C:21](=[O:22])[c:23]3[c:24]([NH:30][c:31]4[cH:32][cH:33][c:34]5[cH:35][cH:36][n:37][cH:38][c:39]5[cH:40]4)[n:25][cH:26][cH:27][cH:28]3)[cH:13][cH:14][c:15]2[C:16]([CH3:18])([CH3:19])[CH2:17]1