HRID2344010

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID18370812

未命名化合物

结构：COc1ccc(Cc2nnc(C(C)N)c(=O)[nH]2)cc1OC

HCID135697923

6-(1-Aminoethyl)-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazin-5(2H)-one

C14H18N4O3

PRODUCTS

生成物

结构：COc1ccc(Cc2nnc(C(C)NC(=O)C(CCCC3CCCCC3)C(C)=O)c(=O)[nH]2)cc1OC

HCID136017764

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-df1a307f7cb541cab8f16f67576064c7
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

[C:51]([CH3:52])(=[O:53])[CH:54]([C:55](=[O:56])[OH:57])[CH2:58][CH2:59][CH2:60][CH:61]1[CH2:62][CH2:63][CH2:64][CH2:65][CH2:66]1.[CH3:11][N:12]1[CH2:13][CH2:14][O:15][CH2:16][CH2:17]1.[CH3:19][N:20]([CH3:21])[CH2:22][CH2:23][CH2:24][N:25]=[C:26]=[N:27][CH2:28][CH3:29].[ClH:18].[NH2:30][CH:31]([CH3:32])[c:33]1[c:34](=[O:50])[nH:35][c:36]([CH2:39][c:40]2[cH:41][c:42]([O:48][CH3:49])[c:43]([O:46][CH3:47])[cH:44][cH:45]2)[n:37][n:38]1.[OH:1][n:2]1[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2[n:9][n:10]1>>[NH:30]([CH:31]([CH3:32])[c:33]1[c:34](=[O:50])[nH:35][c:36]([CH2:39][c:40]2[cH:41][c:42]([O:48][CH3:49])[c:43]([O:46][CH3:47])[cH:44][cH:45]2)[n:37][n:38]1)[C:55]([CH:54]([C:51]([CH3:52])=[O:53])[CH2:58][CH2:59][CH2:60][CH:61]1[CH2:62][CH2:63][CH2:64][CH2:65][CH2:66]1)=[O:56]