HRID205462

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

4 次

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID7707

3-Phenylpropanal

C9H10O

HCID8471

Triethylamine

C6H15N

HCID94429

Triphosgene

C3Cl6O3

HCID114942

Titanium(4+)

Ti+4

HCID11379286

Formamide, N-[2-[3-methoxy-4-(2-propynyloxy)phenyl]ethyl]-

C13H15NO3

PRODUCTS

生成物

结构：C#CCOc1ccc(CCNC(=O)C(O)CCc2ccccc2)cc1OC

HCID57885067

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8551e11fbd844036a769cfc9c0cb4478
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

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