HRID181579

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID2734258

3-Fluorobenzenesulfonyl chloride

C6H4ClFO2S

结构：CC1=C(CCCCCN2CCNCC2)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C1=O

HCID22562427

未命名化合物

PRODUCTS

生成物

结构：CC1=C(CCCCCN2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C1=O

HCID10175316

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dff07dcd47624dea9fcb576df9106615
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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