HRID2324291

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID176

Acetic Acid

C2H4O2

HCID241

Benzene

C6H6

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID3283

Diethyl Ether

C4H10O

HCID5203

4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine

C17H17Cl2N

HCID8003

Pentane

C5H12

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID136492

Peroxide, dimethyl

C2H6O2

PRODUCTS

生成物

HCID175

Acetate

C2H3O2-

HCID5203

4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine

C17H17Cl2N

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ee70e568aa314bfb9b286e43e9c8d45e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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