HRID1143044

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID2778611

2-Bromo-4-(trifluoromethyl)benzene-1-sulfonyl chloride

C7H3BrClF3O2S

HCID15087784

tert-Butyl 2-methylpiperazine-1-carboxylate

C10H20N2O2

PRODUCTS

生成物

结构：CC1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2Br)CCN1C(=O)OC(C)(C)C

HCID72541805

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aeaa98d2f8a44af08f86da7c119cfa2f
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

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