HRID291812

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID123050

4-Bromo-2-fluoroaniline

C6H5BrFN

结构：CCOC(=O)c1sc2cnccc2c1OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

HCID59703914

未命名化合物

PRODUCTS

生成物

HCID59703899

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f6401d852f2345c7b48d9b115cdbfeab
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

[Br:32][c:33]1[cH:34][c:35]([F:40])[c:36]([NH2:37])[cH:38][cH:39]1.[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([O:15][S:16]([C:17]([F:18])([F:19])[C:20]([F:21])([F:22])[C:23]([F:24])([F:25])[C:26]([F:27])([F:28])[F:29])(=[O:30])=[O:31])[c:8]2[c:9]([cH:10][n:11][cH:12][cH:13]2)[s:14]1.[CH2:41]1[CH2:42][CH2:43][C:44]2=[N:49][CH2:48][CH2:47][CH2:46][N:45]2[CH2:50][CH2:51]1.[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([NH:37][c:36]2[c:35]([F:40])[cH:34][c:33]([Br:32])[cH:39][cH:38]2)[c:8]2[c:9]([cH:10][n:11][cH:12][cH:13]2)[s:14]1