HRID153300

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID30165

Iodide ion

I-

HCID167070

2-Chloro-1-methylpyridinium

C6H7ClN+

HCID13153468

3-Methylpyrazine-2-carboxylic acid

C6H6N2O2

HCID86619004

未命名化合物

PRODUCTS

生成物

结构：Cc1nccnc1C(=O)Nc1ccc(C(C(F)(F)F)C(F)(F)F)c(CC(C)C)c1

HCID11690266

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-04f99081ab774d63b965f75f5ddb7720
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

[CH2:11]([CH:12]([CH3:13])[CH3:14])[c:15]1[cH:16][c:17]([NH2:18])[cH:19][cH:20][c:21]1[CH:22]([C:23]([F:24])([F:25])[F:26])[C:27]([F:28])([F:29])[F:30].[CH3:1][c:2]1[c:3]([C:8](=[O:9])[OH:10])[n:4][cH:5][cH:6][n:7]1.[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[Cl:32][c:33]1[cH:34][cH:35][cH:36][cH:37][n+:38]1[CH3:39].[I-:31].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1>>[CH3:1][c:2]1[c:3]([C:8](=[O:10])[NH:18][c:17]2[cH:16][c:15]([CH2:11][CH:12]([CH3:13])[CH3:14])[c:21]([CH:22]([C:23]([F:24])([F:25])[F:26])[C:27]([F:28])([F:29])[F:30])[cH:20][cH:19]2)[n:4][cH:5][cH:6][n:7]1