HRID303274

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

2 次

HCID95417

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

C17H14O

3 次

HCID292103

3-methylmorpholine

C5H11NO

HCID4574913

未命名化合物

HCID178430271

未命名化合物

PRODUCTS

生成物

结构：CC1CN(Cc2ccccc2)Cc2ncc(N3CCOCC3C)nc2O1

HCID178430272

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f32fc1b02ac44042b910032c444079ca
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]([CH3:20])[O:11][c:12]2[c:13]([n:15][cH:16][c:17]([Cl:19])[n:18]2)[CH2:14]1.[CH3:21][CH:22]1[CH2:23][O:24][CH2:25][CH2:26][NH:27]1.[CH3:28][C:29]([CH3:30])([O-:31])[CH3:32].[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[Na+:33].[O:44]=[C:45]([CH:46]=[CH:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1)[CH:54]=[CH:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[O:62]=[C:63]([CH:64]=[CH:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1)[CH:72]=[CH:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1.[O:80]=[C:81]([CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1)[CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1.[OH2:34].[Pd:42].[Pd:43]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]([CH3:20])[O:11][c:12]2[c:13]([n:15][cH:16][c:17]([N:27]3[CH:22]([CH3:21])[CH2:23][O:24][CH2:25][CH2:26]3)[n:18]2)[CH2:14]1