HRID934833

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID9361742

3-(4-cyanophenyl)propanoic Acid

C10H9NO2

HCID10421907

未命名化合物

PRODUCTS

生成物

结构：N#Cc1ccc(CCC(=O)N2CCCc3cc(NC(=O)C(F)(F)F)ccc32)cc1

HCID15410771

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ffb98374653a4eabb19d827d748298b6
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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