HRID1543525

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID949

N,N-Dimethylaniline

C8H11N

HCID1049

Pyridine

C5H5N

HCID10426

Carbonochloridic acid, trichloromethyl ester

C2Cl4O2

HCID31275

1,4-Dioxane

C4H8O2

HCID69998

Benzeneacetonitrile, .alpha.-(hydroxyimino)-

C8H6N2O

HCID79104

Cyclopropanemethanol, .alpha.-methyl-

C5H10O

HCID53654775

未命名化合物

PRODUCTS

生成物

HCID54348876

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5515dd2efa17427fabcbb3ac875b4760
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

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