HRID2160932

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID24386

Thionyl chloride

Cl2OS

HCID81531

Diisopropylethylamine

C8H19N

HCID3721480

4-(Methylamino)tricyclo[3.3.1.13,7]decan-1-ol

C11H19NO

HCID15943168

3-(2-Phenylethoxy)benzoic acid

C15H14O3

PRODUCTS

生成物

结构：CN(C(=O)c1cccc(OCCc2ccccc2)c1)C1C2CC3CC1CC(O)(C3)C2

HCID25242290

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-35a902487b1d4c79bb91f44100969b8a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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