HRID935636

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

3 次

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID11095480

未命名化合物

HCID178509868

未命名化合物

PRODUCTS

生成物

结构：CN(C)C(=O)c1ccc(C(=O)NC(COc2cccc(C#N)c2)CC(=O)OCc2ccccc2)cc1

HCID17788816

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-15359724251b4c609b2f7e7a36d3e11e
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:4](#[N:5])[c:6]1[cH:7][c:8]([O:9][CH2:10][CH:11]([CH2:12][C:13](=[O:14])[O:15][CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[NH2:23])[cH:24][cH:25][cH:26]1.[CH3:27][N:28]([C:29](=[O:30])[c:31]1[cH:32][cH:33][c:34]([C:35](=[O:36])[OH:37])[cH:38][cH:39]1)[CH3:40].[CH3:42][N:43]([CH3:44])[CH2:45][CH2:46][CH2:47][N:48]=[C:49]=[N:50][CH2:51][CH3:52].[CH3:67][CH2:68][O:69][C:70](=[O:71])[CH3:72].[Cl:64][CH2:65][Cl:66].[ClH:3].[ClH:41].[ClH:63].[Na+:2].[OH-:1].[OH:53][n:54]1[c:55]2[cH:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1>>[C:4](#[N:5])[c:6]1[cH:7][c:8]([O:9][CH2:10][CH:11]([CH2:12][C:13](=[O:14])[O:15][CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[NH:23][C:35]([c:34]2[cH:33][cH:32][c:31]([C:29]([N:28]([CH3:27])[CH3:40])=[O:30])[cH:39][cH:38]2)=[O:36])[cH:24][cH:25][cH:26]1