HRID314928

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID7914

Isopropyl ether

C6H14O

HCID8058

n-Hexane

C6H14

HCID14817

Phosphorus pentasulfide

P4S10

结构：CCOC(=O)CN(C)C(=O)CCc1nc2c(F)c(F)cc(F)c2s1

HCID21463533

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CN(C)C(=S)CCc1nc2c(F)c(F)cc(F)c2s1

HCID21463519

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0852593ddea9494cae1e8202e3f54a32
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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