HRID2136348

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID73914

4-Benzoylbutyric acid

C11H12O3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID18426239

未命名化合物

PRODUCTS

生成物

结构：O=C(CCCC(=O)c1ccccc1)NC1CCCCN(Cc2ccc(Cl)cc2)C1

HCID9823008

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a290d1998e4e47aa8e7c82ae378004dc
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

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