HRID157963

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8003

Pentane

C5H12

HCID8028

Tetrahydrofuran

C4H8O

HCID611409

1-Bromo-3,4,5-trifluorobenzene

C6H2BrF3

结构：CC(C)(CCC=NS(=O)C(C)(C)C)C(=O)OCc1ccccc1

HCID66973493

未命名化合物

HCID178418306

未命名化合物

PRODUCTS

生成物

HCID86616392

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3c3e4c41e5a04d3699f3c9ac2b1e58e9
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

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