HRID1240021

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID30165

Iodide ion

I-

HCID81531

Diisopropylethylamine

C8H19N

HCID167070

2-Chloro-1-methylpyridinium

C6H7ClN+

HCID22566343

7-Fluoro-3,4-dihydro-4-thioxo-2H-1,3-benzoxazin-2-one

C8H4FNO2S

结构：CCCN1CCC(C#N)(NC(=O)C(N)CCC(C)(C)CC)CC1

HCID59654225

未命名化合物

PRODUCTS

生成物

结构：CCCN1CCC(C#N)(NC(=O)C(CCC(C)(C)CC)Nc2nc(=O)oc3cc(F)ccc23)CC1

HCID10323110

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-949cd02fc7f242b4b88826eed264d050
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

[C:23](#[N:24])[C:25]1([NH:34][C:35]([CH:36]([CH2:37][CH2:38][C:39]([CH2:40][CH3:41])([CH3:42])[CH3:43])[NH2:44])=[O:45])[CH2:26][CH2:27][N:28]([CH2:31][CH2:32][CH3:33])[CH2:29][CH2:30]1.[CH2:55]1[O:56][CH2:57][CH2:58][CH2:59]1.[CH:46]([N:47]([CH2:48][CH3:49])[CH:50]([CH3:51])[CH3:52])([CH3:53])[CH3:54].[Cl:2][c:3]1[cH:4][cH:5][cH:6][cH:7][n+:8]1[CH3:9].[F:10][c:11]1[cH:12][c:13]2[c:14]([c:15](=[S:20])[nH:16][c:17](=[O:19])[o:18]2)[cH:21][cH:22]1.[I-:1]>>[F:10][c:11]1[cH:12][c:13]2[c:14]([c:15]([NH:44][CH:36]([C:35]([NH:34][C:25]3([C:23]#[N:24])[CH2:26][CH2:27][N:28]([CH2:31][CH2:32][CH3:33])[CH2:29][CH2:30]3)=[O:45])[CH2:37][CH2:38][C:39]([CH2:40][CH3:41])([CH3:42])[CH3:43])[n:16][c:17](=[O:19])[o:18]2)[cH:21][cH:22]1