HRID136237

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

HCID10821076

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：C=CCCCC(C(=O)NC(C)c1nnc(Cc2ccc(OC)c(OC)c2)[nH]c1=O)C(C)O

HCID135697922

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-868efdb1edf44810a12ba8a865925a7b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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