HRID291288

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID93218

2-Hydroxy-2-(3-phenoxyphenyl)acetonitrile

C14H11NO2

HCID354026

3,5-Dichloro-4H-1,2,6-thiadiazin-4-one

C3Cl2N2OS

PRODUCTS

生成物

结构：N#CC(Oc1nsnc(Cl)c1=O)c1cccc(Oc2ccccc2)c1

HCID20341463

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ba13cd07b2446368a862db77db66a0a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:10](#[N:11])[CH:12]([c:13]1[cH:14][c:15]([O:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:16][cH:17][cH:18]1)[OH:26].[CH2:35]([N:36]([CH2:37][CH3:38])[CH2:39][CH3:40])[CH3:41].[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[Cl:1][c:2]1[n:3][s:4][n:5][c:6]([Cl:9])[c:7]1=[O:8].[ClH:34].[OH2:48]>>[c:2]1([O:26][CH:12]([C:10]#[N:11])[c:13]2[cH:14][c:15]([O:19][c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[cH:16][cH:17][cH:18]2)[n:3][s:4][n:5][c:6]([Cl:9])[c:7]1=[O:8]