HRID189046

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID887

Methanol

CH4O

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID16682925

Aluminum, trimethyl-

C3H9Al

HCID22458712

6-Fluoroquinolin-3-amine

C9H7FN2

HCID66816177

Ethyl 4-(3-azabicyclo[3.2.2]non-3-yl)benzoate

C17H23NO2

PRODUCTS

生成物

结构：O=C(Nc1cnc2ccc(F)cc2c1)c1ccc(N2CC3CCC(CC3)C2)cc1

HCID60114313

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c88e0b3099b74e3ebbf971c310658195
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:24]([O:26][C:27](=[O:25])[c:28]1[cH:29][cH:30][c:31]([N:34]2[CH2:35][CH:36]3[CH2:37][CH2:38][CH:39]([CH2:40]2)[CH2:41][CH2:42]3)[cH:32][cH:33]1)[CH3:43].[CH3:1][Al:2]([CH3:3])[CH3:4].[CH3:51][OH:52].[CH3:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1.[Cl:44][CH2:45][CH2:46][Cl:47].[Cl:48][CH2:49][Cl:50].[F:12][c:13]1[cH:14][c:15]2[cH:16][c:17]([NH2:23])[cH:18][n:19][c:20]2[cH:21][cH:22]1>>[F:12][c:13]1[cH:14][c:15]2[cH:16][c:17]([NH:23][C:27](=[O:26])[c:28]3[cH:29][cH:30][c:31]([N:34]4[CH2:35][CH:36]5[CH2:37][CH2:38][CH:39]([CH2:40]4)[CH2:41][CH2:42]5)[cH:32][cH:33]3)[cH:18][n:19][c:20]2[cH:21][cH:22]1