HRID2132597

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID787

Hydroxylamine

H3NO

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：CC#CCOc1ccc(S(=O)(=O)NC2(C(=O)O)CCCCC2)cc1

HCID22645011

未命名化合物

PRODUCTS

生成物

结构：CC#CCOc1ccc(S(=O)(=O)NC2(C(=O)NO)CCCCC2)cc1

HCID10133498

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-23a0720871d9401d8ca941eacd7a5ce3
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

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