HRID161815

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID24841

Hydrogen iodide

HCID97980

2-Bromopropanoyl chloride

C3H4BrClO

结构：C[N+](C)(CC=CC1=C(C(=O)[O-])N2C(=O)C(N)C2SC1)CC(N)=O

HCID178483394

未命名化合物

PRODUCTS

生成物

结构：CC(Br)C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C=CC[N+](C)(C)CC(N)=O)CSC12

HCID178435174

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cd9811cf2b514abaa9003020c59b75e3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:25][CH:26]([C:27](=[O:28])[Cl:29])[CH3:30].[C:37](#[N:38])[CH3:39].[CH3:31][CH2:32][O:33][CH2:34][CH3:35].[Cl:40][CH2:41][Cl:42].[IH:1].[NH2:2][CH:3]1[CH:4]2[S:5][CH2:6][C:7]([CH:15]=[CH:16][CH2:17][N+:18]([CH3:19])([CH3:20])[CH2:21][C:22]([NH2:23])=[O:24])=[C:8]([C:12](=[O:13])[O-:14])[N:9]2[C:10]1=[O:11].[OH2:36]>>[NH:2]([CH:3]1[CH:4]2[S:5][CH2:6][C:7]([CH:15]=[CH:16][CH2:17][N+:18]([CH3:19])([CH3:20])[CH2:21][C:22]([NH2:23])=[O:24])=[C:8]([C:12](=[O:13])[O-:14])[N:9]2[C:10]1=[O:11])[C:27]([CH:26]([Br:25])[CH3:30])=[O:28]