HRID205595

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

结构：COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)OC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1C

HCID73022531

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CNC(C)C(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID87791926

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-854ed7830e444882bc2c28bdd692c0db
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[CH3:53][CH2:54][OH:55].[F:1][C:2]([c:3]1[cH:4][c:5]([CH:13]2[CH:14]([CH3:41])[N:15]([CH2:19][c:20]3[c:21](-[c:30]4[c:31]([O:39][CH3:40])[cH:32][cH:33][c:34]([CH:36]([CH3:37])[CH3:38])[cH:35]4)[cH:22][cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[cH:25]3)[C:16](=[O:18])[O:17]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:42])[F:43].[K+:46].[OH-:45].[OH2:44]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH:13]([CH:14]([NH:15][CH2:19][c:20]2[c:21](-[c:30]3[c:31]([O:39][CH3:40])[cH:32][cH:33][c:34]([CH:36]([CH3:37])[CH3:38])[cH:35]3)[cH:22][cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[cH:25]2)[CH3:41])[OH:17])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:42])[F:43]