HRID289480

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

反应SMILES：CCOC(=O)C=CN(C1(C(=O)OC(C)(C)C)CCCC1)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1

HCID54535752

未命名化合物

PRODUCTS

产物

HCID54146484

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-57b6d25730554847bed190fd1bdcdf2b
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[C:8]1([N:13]([S:14](=[O:15])(=[O:16])[c:17]2[cH:18][cH:19][c:20]([O:23][c:24]3[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]3)[cH:21][cH:22]2)[CH:31]=[CH:32][C:33](=[O:34])[O:35][CH2:36][CH3:37])[CH2:9][CH2:10][CH2:11][CH2:12]1.[CH3:38][CH2:39][OH:40]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[C:8]1([N:13]([S:14](=[O:15])(=[O:16])[c:17]2[cH:18][cH:19][c:20]([O:23][c:24]3[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]3)[cH:21][cH:22]2)[CH2:31][CH2:32][C:33](=[O:34])[O:35][CH2:36][CH3:37])[CH2:9][CH2:10][CH2:11][CH2:12]1