HRID110313

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

结构：COC(=O)CCc1ccc(OCC(C)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C(C)C)cc1C

HCID69358904

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(OCC(C)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C(C)C)ccc1CCC(=O)O

HCID58765770

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-758349f2ca23441bacb5cff0c8c9c6fd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:1][O:2][C:3]([CH2:4][CH2:5][c:6]1[c:7]([CH3:34])[cH:8][c:9]([O:12][CH2:13][CH:14]([CH3:15])[c:16]2[c:17]([CH:31]([CH3:32])[CH3:33])[n:18][c:19](-[c:21]3[cH:22][cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]3)[s:20]2)[cH:10][cH:11]1)=[O:35].[CH3:44][CH2:45][O:46][CH2:47][CH3:48].[ClH:38].[Na+:37].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[OH-:36]>>[O:2]=[C:3]([CH2:4][CH2:5][c:6]1[c:7]([CH3:34])[cH:8][c:9]([O:12][CH2:13][CH:14]([CH3:15])[c:16]2[c:17]([CH:31]([CH3:32])[CH3:33])[n:18][c:19](-[c:21]3[cH:22][cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]3)[s:20]2)[cH:10][cH:11]1)[OH:35]