HRID1234693

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID141181

3-(3,4-Dichlorophenyl)propionic acid

C9H8Cl2O2

HCID22141143

N-[3-(6-methyl-3-azabicyclo[3.1.0]hex-6-yl)phenyl)methanesulfonamide

C13H18N2O2S

PRODUCTS

生成物

结构：CC1(c2cccc(NS(C)(=O)=O)c2)C2CN(C(=O)CCc3ccc(Cl)c(Cl)c3)CC21

HCID22141281

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b70a18ce8fe043c98578d6b6dd11625e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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