HRID1234187

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID6367

Acetyl chloride

C2H3ClO

HCID8857

Ethyl acetate

C4H8O2

结构：COc1cc(C=C2SC(N3CCNCC3)=NC2=O)ccc1OCc1ccc(C(F)(F)F)cc1C(F)(F)F

HCID73044183

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C=C2SC(N3CCN(C(C)=O)CC3)=NC2=O)ccc1OCc1ccc(C(F)(F)F)cc1C(F)(F)F

HCID76618687

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7b801d81d4094cb3b59300584ae4e4fb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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