HRID188198

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID259624

3-Pyridinepropionic acid

C8H9NO2

结构：CC(C)N(C)C1CCC(N)C(CS(=O)(=O)c2ccccc2)C1

HCID68637341

未命名化合物

PRODUCTS

生成物

结构：CC(C)N(C)C1CCC(NC(=O)CCc2cccnc2)C(CS(=O)(=O)c2ccccc2)C1

HCID72958666

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ec4500677be2426083bda119d02ac759
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:24][N:25]([CH3:26])[CH2:27][CH2:28][CH2:29][N:30]=[C:31]=[N:32][CH2:33][CH3:34].[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[CH:1]([CH3:2])([CH3:3])[N:4]([CH:5]1[CH2:6][CH:7]([CH2:12][S:13](=[O:14])(=[O:15])[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[CH:8]([NH2:11])[CH2:9][CH2:10]1)[CH3:22].[Cl:64][CH2:65][Cl:66].[ClH:23].[OH2:35].[OH:36][n:37]1[c:38]2[cH:39][cH:40][cH:41][cH:42][c:43]2[n:44][n:45]1.[n:53]1[cH:54][c:55]([CH2:59][CH2:60][C:61](=[O:62])[OH:63])[cH:56][cH:57][cH:58]1>>[CH:1]([CH3:2])([CH3:3])[N:4]([CH:5]1[CH2:6][CH:7]([CH2:12][S:13](=[O:14])(=[O:15])[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[CH:8]([NH:11][C:61]([CH2:60][CH2:59][c:55]2[cH:54][n:53][cH:58][cH:57][cH:56]2)=[O:62])[CH2:9][CH2:10]1)[CH3:22]