HRID668429

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID3390996

Methyl 2-acetyloctanoate

C11H20O3

HCID18764589

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

HCID135697916

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bac33178b65642f9b06bf02c85fcb00e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:15]([CH:16]([CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[C:23]([OH:24])=[O:25])(=[O:26])[CH3:27].[C:1]([CH3:2])(=[O:3])[CH:4]([C:5]([O:7][CH3:6])=[O:8])[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH3:14].[CH3:38][N:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1.[CH3:46][N:47]([CH3:48])[CH2:49][CH2:50][CH2:51][N:52]=[C:53]=[N:54][CH2:55][CH3:56].[Cl:78][CH2:79][Cl:80].[ClH:45].[NH2:57][CH:58]([CH3:59])[c:60]1[c:61](=[O:77])[nH:62][c:63]([CH2:66][c:67]2[cH:68][c:69]([O:75][CH3:76])[c:70]([O:73][CH3:74])[cH:71][cH:72]2)[n:64][n:65]1.[OH:28][n:29]1[c:30]2[cH:31][cH:32][cH:33][cH:34][c:35]2[n:36][n:37]1>>[C:1]([CH3:2])(=[O:3])[CH:4]([C:5](=[O:7])[NH:57][CH:58]([CH3:59])[c:60]1[c:61](=[O:77])[nH:62][c:63]([CH2:66][c:67]2[cH:68][c:69]([O:75][CH3:76])[c:70]([O:73][CH3:74])[cH:71][cH:72]2)[n:64][n:65]1)[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH3:14]