HRID1114878

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID82029

4-Methylmorpholine 4-oxide

C5H11NO2

HCID91551

3-Anilinopropane-1,2-diol

C9H13NO2

结构：CCOc1cc2c(cc1C(CC)=C(F)CO)C(C(C)(C)C)=CCC2(C)C

HCID69731001

未命名化合物

PRODUCTS

生成物

HCID91362719

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cb92db81e8dd4755b46e608830b62f12
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

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