HRID697121

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

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-3ae4314d373e480093fad511d76951b3
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][CH:10]([CH:14]([CH3:15])[CH3:16])[NH:11][CH2:12][CH2:13]1.[CH2:17]([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[c:24]1[cH:25][c:26]([Br:30])[cH:27][cH:28][cH:29]1.[CH3:34][OH:35].[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[Cl:31][CH2:32][Cl:33].[O:45]=[C:46]([CH:47]=[CH:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1)[CH:55]=[CH:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[O:63]=[C:64]([CH:65]=[CH:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1)[CH:73]=[CH:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1.[O:81]=[C:82]([CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1)[CH:91]=[CH:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1.[Pd:43].[Pd:44]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([CH:14]([CH3:15])[CH3:16])[N:11]([c:26]2[cH:25][c:24]([CH2:17][c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[cH:29][cH:28][cH:27]2)[CH2:12][CH2:13]1