HRID121027

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6212

Chloroform

CHCl3

HCID7972

4-Methylmorpholine

C5H11NO

HCID2761057

4-Bromo-2-(methylsulfonyl)benzoic acid

C8H7BrO4S

HCID67380866

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Cl)c(N2CCN(C(=O)c3ccc(Br)cc3S(C)(=O)=O)CC2)cc1F

HCID67380757

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b5960d20f12643ae903d302f0cafa943
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

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