HRID812395

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID22049268

tert-Butyl 4-(3-aminophenyl)piperidine-1-carboxylate

C16H24N2O2

结构：COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCC(=O)O)C1c1ccc(F)cc1

HCID57526934

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCC(=O)Nc2cccc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)C1c1ccc(F)cc1

HCID57526947

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-89158b4040c942d6a2091c662937b6f2
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:29]([CH3:30])([CH3:31])([CH3:32])[O:33][C:34](=[O:35])[N:36]1[CH2:37][CH2:38][CH:39]([c:42]2[cH:43][c:44]([NH2:48])[cH:45][cH:46][cH:47]2)[CH2:40][CH2:41]1.[CH3:53][N:54]([CH3:55])[c:56]1[cH:57][cH:58][n:59][cH:60][cH:61]1.[Cl:49][CH2:50][Cl:51].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[C:9]([C:25](=[O:26])[O:27][CH3:28])=[C:10]([CH3:24])[NH:11][C:12](=[O:23])[N:13]2[C:14](=[O:15])[NH:16][CH2:17][CH2:18][CH2:19][C:20](=[O:21])[OH:22])[cH:6][cH:7]1.[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[OH2:52]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[C:9]([C:25](=[O:26])[O:27][CH3:28])=[C:10]([CH3:24])[NH:11][C:12](=[O:23])[N:13]2[C:14](=[O:15])[NH:16][CH2:17][CH2:18][CH2:19][C:20](=[O:21])[NH:48][c:44]2[cH:43][c:42]([CH:39]3[CH2:38][CH2:37][N:36]([C:34]([O:33][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:35])[CH2:41][CH2:40]3)[cH:47][cH:46][cH:45]2)[cH:6][cH:7]1