HRID1152761

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

结构：CC1CN(C(=O)COc2ccc(Cl)cc2CS(N)(=O)=O)C(C)CN1Cc1ccc(F)cc1

HCID21973445

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NS(=O)(=O)Cc1cc(Cl)ccc1OCC(=O)N1CC(C)N(Cc2ccc(F)cc2)CC1C

HCID10230023

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d26db78d957745ebb37c3846464e8c4d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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