HRID1572090

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID12079320

未命名化合物

HCID19063864

4-[4-(Ethoxycarbonyl)piperidin-1-yl]benzoic acid

C15H19NO4

PRODUCTS

生成物

结构：CCOC(=O)C1CCN(c2ccc(C(=O)Nc3ccc4ccn(CC)c4c3)cc2)CC1

HCID59318122

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-651e277cc8944116b8645be8912ee993
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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