HRID169251

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6377

Propyleneimine

C3H7N

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

结构：CC(C)(C)c1ccc(-n2c(Cl)c(C=O)c3ccccc32)cc1

HCID86035920

未命名化合物

PRODUCTS

生成物

结构：CC1CN1c1c(C=O)c2ccccc2n1-c1ccc(C(C)(C)C)cc1

HCID11336525

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b4f81ef8fbff4487a442913ae86a0dbe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[n:11]2[c:12]([Cl:22])[c:13]([CH:20]=[O:21])[c:14]3[cH:15][cH:16][cH:17][cH:18][c:19]23)[cH:9][cH:10]1.[CH3:69][CH:70]1[NH:71][CH2:72]1.[CH3:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1.[O:101]=[C:102]([CH:103]=[CH:104][c:105]1[cH:106][cH:107][cH:108][cH:109][cH:110]1)[CH:111]=[CH:112][c:113]1[cH:114][cH:115][cH:116][cH:117][cH:118]1.[O:119]=[C:120]([CH:121]=[CH:122][c:123]1[cH:124][cH:125][cH:126][cH:127][cH:128]1)[CH:129]=[CH:130][c:131]1[cH:132][cH:133][cH:134][cH:135][cH:136]1.[O:83]=[C:84]([CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1)[CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1.[OH2:73].[Pd:81].[Pd:82].[c:23]1([P:24]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:31]2[cH:32][cH:33][c:34]3[c:35]([cH:36][cH:37][cH:38][cH:39]3)[c:40]2-[c:41]2[c:42]3[c:43]([cH:44][cH:45][cH:46][cH:47]3)[cH:48][cH:49][c:50]2[P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:64][cH:65][cH:66][cH:67][cH:68]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[n:11]2[c:12]([N:71]3[CH:70]([CH3:69])[CH2:72]3)[c:13]([CH:20]=[O:21])[c:14]3[cH:15][cH:16][cH:17][cH:18][c:19]23)[cH:9][cH:10]1