HRID670312

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID887

Methanol

CH4O

HCID1031

1-Propanol

C3H8O

HCID6212

Chloroform

CHCl3

HCID6344

Dichloromethane

CH2Cl2

HCID6775

2,3-Dichloro-5,6-dicyano-p-benzoquinone

C8Cl2N2O2

HCID8028

Tetrahydrofuran

C4H8O

HCID31275

1,4-Dioxane

C4H8O2

HCID9877746

Benzene, 1,2,4-trimethoxy-5-propyl-

C12H18O3

PRODUCTS

生成物

HCID17903

Azaron

C12H16O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6cd46aef92344635962d8c6cb5380b61
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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