HRID178362

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID239820

4-(dimethylamino)butanoic acid

C6H13NO2

结构：CCCCCC(C)C(C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CC(=O)NC(N)=O)CC1

HCID20388001

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CCCCCC(C)C(C)c1cc(OC(=O)CCCN(C)C)c2c(c1)OC(C)(C)C1=C2CN(CC(=O)NC(N)=O)CC1

HCID54178413

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2f87b10048f5451080a3e34e5dd7910b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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