HRID106634

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

3 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID6484655

4-[2-(dimethylamino)ethoxy]aniline

C10H16N2O

结构：CCC(=C(C(=O)O)c1ccc(OCOC)cc1)c1ccccc1

HCID68731400

未命名化合物

PRODUCTS

生成物

结构：CCC(=C(C(=O)Nc1ccc(OCCN(C)C)cc1)c1ccc(OCOC)cc1)c1ccccc1

HCID68154874

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fbff34b138f143a4b17d2afabbe2556c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:24]([Cl:25])[CH2:26][Cl:27].[CH3:1][O:2][CH2:3][O:4][c:5]1[cH:6][cH:7][c:8]([C:11]([C:12](=[O:13])[OH:14])=[C:15]([CH2:16][CH3:17])[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:9][cH:10]1.[CH3:41][N:42]([CH2:43][CH2:44][O:45][c:46]1[cH:47][cH:48][c:49]([NH2:52])[cH:50][cH:51]1)[CH3:53].[CH:54]([N:55]([CH2:56][CH3:57])[CH:58]([CH3:59])[CH3:60])([CH3:61])[CH3:62].[ClH:28].[ClH:39].[ClH:40].[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[OH:29][n:30]1[c:31]2[c:32]([cH:33][cH:34][cH:35][cH:36]2)[n:37][n:38]1>>[CH3:1][O:2][CH2:3][O:4][c:5]1[cH:6][cH:7][c:8]([C:11]([C:12](=[O:14])[NH:52][c:49]2[cH:48][cH:47][c:46]([O:45][CH2:44][CH2:43][N:42]([CH3:41])[CH3:53])[cH:51][cH:50]2)=[C:15]([CH2:16][CH3:17])[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:9][cH:10]1