HRID1127702

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID6212

Chloroform

CHCl3

HCID23938

Palladium

2 次

HCID31268

Pyrrolidine

C4H9N

HCID95417

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

C17H14O

3 次

HCID4574913

未命名化合物

反应SMILES：Cc1onc(-c2ccccc2)c1COc1ccc(Cl)nn1

HCID42629769

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1onc(-c2ccccc2)c1COc1ccc(N2CCCC2)nn1

HCID67158048

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-3aa1820fc283426984e3ed8b7a600de0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

[CH2:22]1[CH2:23][CH2:24][NH:25][CH2:26]1.[CH3:27][C:28]([CH3:29])([O-:30])[CH3:31].[CH3:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[CH:96]([Cl:97])([Cl:98])[Cl:99].[Cl:1][c:2]1[n:3][n:4][c:5]([O:8][CH2:9][c:10]2[c:11](-[c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[n:12][o:13][c:14]2[CH3:15])[cH:6][cH:7]1.[Na+:32].[O:42]=[C:43]([CH:44]=[CH:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)[CH:52]=[CH:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[O:60]=[C:61]([CH:62]=[CH:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1)[CH:70]=[CH:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[O:78]=[C:79]([CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1)[CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1.[Pd:40].[Pd:41]>>[c:2]1([N:25]2[CH2:24][CH2:23][CH2:22][CH2:26]2)[n:3][n:4][c:5]([O:8][CH2:9][c:10]2[c:11](-[c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[n:12][o:13][c:14]2[CH3:15])[cH:6][cH:7]1