HRID2347347

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID11952

Phenacylamine

C8H9NO

HCID24386

Thionyl chloride

Cl2OS

结构：O=C(O)C1CC(c2ccc(C(F)(F)F)cc2)CN(C(=O)N2CCOCC2)C1

HCID58002447

未命名化合物

PRODUCTS

生成物

结构：O=C(CNC(=O)C1CC(c2ccc(C(F)(F)F)cc2)CN(C(=O)N2CCOCC2)C1)c1ccccc1

HCID58002276

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c24a10171745471fb73642ef80238b17
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[Cl:49][CH2:50][Cl:51].[NH2:39][CH2:40][C:41](=[O:42])[c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[O:5]1[CH2:6][CH2:7][N:8]([C:11](=[O:12])[N:13]2[CH2:14][CH:15]([C:29](=[O:30])[OH:31])[CH2:16][CH:17]([c:19]3[cH:20][cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]3)[CH2:18]2)[CH2:9][CH2:10]1.[OH2:52].[S:1]([Cl:2])([Cl:3])=[O:4]>>[O:5]1[CH2:6][CH2:7][N:8]([C:11](=[O:12])[N:13]2[CH2:14][CH:15]([C:29](=[O:30])[NH:39][CH2:40][C:41](=[O:42])[c:43]3[cH:44][cH:45][cH:46][cH:47][cH:48]3)[CH2:16][CH:17]([c:19]3[cH:20][cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]3)[CH2:18]2)[CH2:9][CH2:10]1