HRID1539410

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID3283

Diethyl Ether

C4H10O

HCID122534

N-Methyl-4,4-diphenylbutan-2-amine

C17H21N

结构：COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCl)C1c1cccc([N+](=O)[O-])c1

HCID3016888

2-Chloroethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

C18H19ClN2O6

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

HCID122534

N-Methyl-4,4-diphenylbutan-2-amine

C17H21N

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-219184e8e4eb4e17b7c59cba2c60a3fb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:1][C:2]1=[C:22]([C:23]([O:24][CH3:25])=[O:27])[CH:12]([c:13]2[cH:14][cH:15][cH:16][c:17]([N+:18]([O-:19])=[O:20])[cH:21]2)[C:6]([C:7]([O:8][CH2:9][CH2:10][Cl:26])=[O:11])=[C:4]([CH3:5])[NH:3]1.[CH3:28][CH:29]([CH2:30][CH:31]([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)[NH:44][CH3:45].[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[CH3:53][CH2:54][O:55][CH2:56][CH3:57]>>[CH3:28][CH:29]([CH2:30][CH:31]([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)[NH:44][CH3:45].[ClH:26]