HRID117840

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID23938

Palladium

HCID95417

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

C17H14O

HCID643495

1-Cbz-Piperazine

C12H16N2O2

结构：CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID2734217

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

C26H36NP

HCID4574913

未命名化合物

HCID14712456

2-(Benzyloxy)-3-bromopyridine

C12H10BrNO

PRODUCTS

生成物

结构：O=C(OCc1ccccc1)N1CCN(c2cccnc2OCc2ccccc2)CC1

HCID67060675

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d34127a6145e44808c7973fc3268aa0c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:29]([c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)[O:36][c:37]1[n:38][cH:39][cH:40][cH:41][c:42]1[Br:43].[CH3:60][C:61]([CH3:62])([O-:63])[CH3:64].[CH3:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1.[CH:1]1([P:2]([CH:3]2[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2-[c:15]2[c:16]([N:17]([CH3:18])[CH3:19])[cH:20][cH:21][cH:22][cH:23]2)[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]1.[N:44]1([C:50](=[O:51])[O:52][CH2:53][c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[CH2:45][CH2:46][NH:47][CH2:48][CH2:49]1.[Na+:65].[OH2:73].[Pd:74].[c:75]1([CH:76]=[CH:77][C:78](=[O:79])[CH:80]=[CH:81][c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[cH:88][cH:89][cH:90][cH:91][cH:92]1>>[CH2:29]([c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)[O:36][c:37]1[n:38][cH:39][cH:40][cH:41][c:42]1[N:47]1[CH2:46][CH2:45][N:44]([C:50](=[O:51])[O:52][CH2:53][c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[CH2:49][CH2:48]1