HRID86206

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID17208

Benzyltriethylammonium

C13H22N+

HCID19660

Carbonate

CO3-2

HCID801162

TERT-BUTYL 1,3-DIOXOISOINDOLIN-2-YLCARBAMATE

C13H14N2O4

HCID18465045

2-[(Propan-2-yl)oxy]ethyl methanesulfonate

C6H14O4S

PRODUCTS

生成物

结构：CC(C)OCCN(C(=O)OC(C)(C)C)N1C(=O)c2ccccc2C1=O

HCID58180589

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-13d32918fc484c11830e0f0dcb886682
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

[C:31](=[O:32])([O-:33])[O-:34].[CH2:41]([N+:42]([CH2:43][CH3:44])([CH2:45][CH3:46])[CH2:47][CH3:48])[c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[CH3:1][S:2]([O:3][CH2:6][CH2:7][O:8][CH:9]([CH3:10])[CH3:11])(=[O:4])=[O:5].[CH3:37][C:38]#[N:39].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[Cl-:40].[K+:35].[K+:36].[O:12]=[C:13]1[N:14]([NH:23][C:24]([O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[C:15](=[O:22])[c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]21.[OH2:61]>>[CH2:6]([CH2:7][O:8][CH:9]([CH3:10])[CH3:11])[N:23]([N:14]1[C:13](=[O:12])[c:21]2[c:16]([cH:17][cH:18][cH:19][cH:20]2)[C:15]1=[O:22])[C:24]([O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30]