HRID100972

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

3 次

HCID702

Ethanol

C2H6O

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6577

Chloroacetyl chloride

C2H2Cl2O

HCID8471

Triethylamine

C6H15N

HCID28123

Tetrahydroborate

H4B-

HCID64796

Hydrocarbostyril

C9H9NO

HCID104727

Aluminum Cation

Al+3

HCID114551

3-Benzylpiperidine

C12H17N

HCID4961790

6-(chloroacetyl)-3,4-dihydroquinolin-2(1H)-one

C11H10ClNO2

结构：O=C1CCc2cc(C(=O)CN3CCCC(Cc4ccccc4)C3)ccc2N1

HCID15816913

未命名化合物

PRODUCTS

生成物

HCID9885425

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1aab6f6e819e4635b061084826c31f8e
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

[Al+3:45].[BH4-:81].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[CH2:9][N:10]([CH2:14][C:15](=[O:16])[c:17]2[cH:18][c:19]3[c:24]([cH:25][cH:26]2)[NH:23][C:22](=[O:27])[CH2:21][CH2:20]3)[CH2:11][CH2:12][CH2:13]1.[CH2:68]([CH:69]1[CH2:70][CH2:71][CH2:72][NH:73][CH2:74]1)[c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1.[CH3:83][CH2:84][OH:85].[CH3:86][OH:87].[CH3:88][CH2:89][N:90]([CH2:91][CH3:92])[CH2:93][CH3:94].[Cl-:44].[Cl-:46].[Cl-:47].[Cl:39][CH2:40][C:41]([Cl:42])=[O:43].[Cl:53][CH2:54][C:55]([c:56]1[cH:57][c:58]2[c:59]([cH:60][cH:61]1)[NH:62][C:63](=[O:64])[CH2:65][CH2:66]2)=[O:67].[NH:28]1[c:29]2[c:30]([cH:31][cH:32][cH:33][cH:34]2)[CH2:35][CH2:36][C:37]1=[O:38].[Na+:82].[O:48]=[CH:49][N:50]([CH3:51])[CH3:52]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[CH2:9][N:10]([CH2:14][CH:15]([OH:16])[c:17]2[cH:18][c:19]3[c:24]([cH:25][cH:26]2)[NH:23][C:22](=[O:27])[CH2:21][CH2:20]3)[CH2:11][CH2:12][CH2:13]1