HRID136077

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1118

Sulfuric acid

H2O4S

HCID6212

Chloroform

CHCl3

HCID31275

1,4-Dioxane

C4H8O2

HCID61778

Bisulfate anion

HO4S-

HCID90495

Di-tert-butyl dicarbonate

C10H18O5

结构：CC(C)(C)OC(=O)N1CCC(O)(C(C(=O)O)c2ccc(F)cc2)CC1

HCID22318630

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC=C(C(C(=O)O)c2ccc(F)cc2)CC1

HCID22318659

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1b23ad64c4a84fe3908bbc07036df9c5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([OH:14])([CH:15]([c:16]2[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]2)[C:23](=[O:24])[OH:25])[CH2:12][CH2:13]1.[C:33]([O:34][C:35]([O:36][C:37]([O:38][C:39]([CH3:40])([CH3:41])[CH3:42])=[O:43])=[O:44])([CH3:45])([CH3:46])[CH3:47].[CH2:58]1[O:59][CH2:60][CH2:61][O:62][CH2:63]1.[CH:54]([Cl:55])([Cl:56])[Cl:57].[K+:53].[Na+:32].[OH-:31].[S:26](=[O:27])(=[O:28])([OH:29])[OH:30].[S:48]([O-:49])([OH:50])(=[O:51])=[O:52]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]=[C:11]([CH:15]([c:16]2[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]2)[C:23](=[O:24])[OH:25])[CH2:12][CH2:13]1