HRID1214332

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID6212

Chloroform

CHCl3

HCID7841

Allyl bromide

C3H5Br

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

结构：C=CCOc1nc2c(cc1I)C(C)CN(C(=O)C(F)(F)F)CC2

HCID23654199

未命名化合物

结构：CC1CN(C(=O)C(F)(F)F)CCc2nc(O)c(I)cc21

HCID178430709

未命名化合物

PRODUCTS

生成物

HCID23653811

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa6a9c0df3f44b8586846650738de848
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

[CH2:21]([Br:22])[CH:23]=[CH2:24].[CH2:25]([CH:26]=[CH2:27])[O:28][c:29]1[c:30]([I:47])[cH:31][c:32]2[c:33]([n:46]1)[CH2:34][CH2:35][N:36]([C:40](=[O:41])[C:42]([F:43])([F:44])[F:45])[CH2:37][CH:38]2[CH3:39].[CH3:54][CH2:55][O:56][C:57]([CH3:58])=[O:59].[CH3:60][OH:61].[Cl:62][CH:63]([Cl:64])[Cl:65].[I:1][c:2]1[c:3]([OH:4])[n:5][c:6]2[c:19]([cH:20]1)[CH:17]([CH3:18])[CH2:16][N:9]([C:10](=[O:11])[C:12]([F:13])([F:14])[F:15])[CH2:8][CH2:7]2.[K+:48].[K+:49].[O-:50][C:51]([O-:52])=[O:53]>>[CH2:25]([CH:26]=[CH2:27])[O:28][c:29]1[c:30]([I:47])[cH:31][c:32]2[c:33]([n:46]1)[CH2:34][CH2:35][NH:36][CH2:37][CH:38]2[CH3:39]