HRID675324

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID6343

Ethanethiol

C2H6S

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

结构：COc1cc(-n2ccc(-c3ccc(C(F)(F)F)cc3)cc2=O)ccc1OCC1CO1

HCID87282923

未命名化合物

PRODUCTS

生成物

结构：CCSCC(O)COc1ccc(-n2ccc(-c3ccc(C(F)(F)F)cc3)cc2=O)cc1OC

HCID67135052

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aff4c46588b745519632e6f7a095f2c5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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