HRID662343

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8082

Piperidine

C5H11N

HCID8857

Ethyl acetate

C4H8O2

结构：CC(C)(C)OC(=O)N1CCC(NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)NC2(c3ccccn3)CC2)CC1

HCID58431236

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(N)(C(=O)NC2(c3ccccn3)CC2)CC1

HCID58431060

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c7ec8140fb3f41fb954cdee49dd90e95
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

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