HRID91538

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID10820

4-Isopropylbenzoic acid

C10H12O2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID10909877

3-(2-aminoethoxy)benzonitrile

C9H10N2O

PRODUCTS

生成物

结构：CC(C)c1ccc(C(=O)NCCOc2cccc(C#N)c2)cc1

HCID68836070

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b425e4d8b15e4f08866bfb082d2bc766
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

[CH3:13][CH2:14][N:15]([CH2:16][CH3:17])[CH2:18][CH3:19].[CH3:21][N:22]([CH3:23])[CH2:24][CH2:25][CH2:26][N:27]=[C:28]=[N:29][CH2:30][CH3:31].[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[OH:10])[cH:11][cH:12]1.[Cl:55][CH2:56][Cl:57].[ClH:20].[ClH:42].[NH2:43][CH2:44][CH2:45][O:46][c:47]1[cH:48][c:49]([C:50]#[N:51])[cH:52][cH:53][cH:54]1.[OH2:58].[OH:32][n:33]1[c:34]2[cH:35][cH:36][cH:37][cH:38][c:39]2[n:40][n:41]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([C:8](=[O:10])[NH:43][CH2:44][CH2:45][O:46][c:47]2[cH:48][c:49]([C:50]#[N:51])[cH:52][cH:53][cH:54]2)[cH:11][cH:12]1