HRID2320700

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID597532

1-Benzyl-3-bromobenzene

C13H11Br

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

HCID2734939

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

C26H24NP

HCID44558596

tert-Butyl 3-(propan-2-yl)piperazine-1-carboxylate

C12H24N2O2

PRODUCTS

生成物

结构：CC(C)C1CN(C(=O)OC(C)(C)C)CCN1c1cccc(Cc2ccccc2)c1

HCID69542747

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f5c6e404529425b813520bc8efcf265
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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