HRID1539914

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

结构：CC(C)CNNC(=O)C(CC(C)C)C(CC=Cc1ccccc1)C(=O)OC(C)(C)C

HCID178449892

未命名化合物

HCID178525261

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(C(=O)NN(CC(C)C)C(=O)Cc1nnn[nH]1)C(CC=Cc1ccccc1)C(=O)OC(C)(C)C

HCID178445359

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-76d57cad841c4103878a84c9551e154e
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

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