HRID2325200

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID107

Hydrocinnamic acid

C9H10O2

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID11413336

4-Piperidinecarboxylic acid, phenylmethyl ester

C13H17NO2

PRODUCTS

生成物

结构：O=C(OCc1ccccc1)C1CCN(C(=O)CCc2ccccc2)CC1

HCID59559625

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dae8c440e9924e82b66cbf8581f85a6b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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