HRID1540063

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID31275

1,4-Dioxane

C4H8O2

结构：CCOC(=O)COc1ccc(C=Cc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1C

HCID86592488

未命名化合物

PRODUCTS

生成物

HCID16109179

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-692e33d6cea34f8980f1732caa922681
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:39]([OH:40])[CH3:41].[CH3:1][c:2]1[c:3]([O:4][CH2:5][C:6](=[O:7])[O:8][CH2:9][CH3:10])[cH:11][cH:12][c:13]([CH:15]=[CH:16][c:17]2[c:18]([CH3:32])[n:19][c:20](-[c:22]3[cH:23][cH:24][c:25]([C:28]([F:29])([F:30])[F:31])[cH:26][cH:27]3)[s:21]2)[cH:14]1.[O:33]1[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1>>[CH3:1][c:2]1[c:3]([O:4][CH2:5][C:6](=[O:7])[O:8][CH2:9][CH3:10])[cH:11][cH:12][c:13]([CH2:15][CH2:16][c:17]2[c:18]([CH3:32])[n:19][c:20](-[c:22]3[cH:23][cH:24][c:25]([C:28]([F:29])([F:30])[F:31])[cH:26][cH:27]3)[s:21]2)[cH:14]1