HRID140054

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

HCID7726

4-Chlorobenzaldehyde

C7H5ClO

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)c2ccc(Cl)cc2)cc1OC

HCID11474256

4-Chloro-alpha-hydroxy-N-[2-[3-methoxy-4-(2-propyn-1-yloxy)phenyl]ethyl]benzeneacetamide

C20H20ClNO4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e581c12934dc4fee84866e47fe1c9042
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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