HRID126334

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID166653

Hydride

H-

HCID2735756

5-Chloro-3-methyl-1-benzothiophene-2-sulfonyl chloride

C9H6Cl2O2S2

HCID10586307

methyl 4-amino-5-methanesulfonyl-2-methylbenzoate

C10H13NO4S

PRODUCTS

生成物

结构：COC(=O)c1cc(S(C)(=O)=O)c(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1C

HCID12045135

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-db8bb80950304fcd95b4f7fb0c3872a2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:1]1[O:2][CH2:3][CH2:4][CH2:5]1.[Cl:24][c:25]1[cH:26][c:27]2[c:28]([s:29][c:30]([S:33](=[O:34])(=[O:35])[Cl:36])[c:31]2[CH3:32])[cH:37][cH:38]1.[H-:22].[NH2:6][c:7]1[cH:8][c:9]([CH3:21])[c:10]([C:11](=[O:12])[O:13][CH3:14])[cH:15][c:16]1[S:17](=[O:18])(=[O:19])[CH3:20].[Na+:23].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43]>>[NH:6]([c:7]1[cH:8][c:9]([CH3:21])[c:10]([C:11](=[O:12])[O:13][CH3:14])[cH:15][c:16]1[S:17](=[O:18])(=[O:19])[CH3:20])[S:33]([c:30]1[s:29][c:28]2[c:27]([cH:26][c:25]([Cl:24])[cH:38][cH:37]2)[c:31]1[CH3:32])(=[O:34])=[O:35]