HRID308781

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

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

C8H17N3

HCID239828

3-(dimethylamino)propanoic acid

C5H11NO2

HCID76505199

未命名化合物

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCC(=O)ON=C(N)C1CCCCN1S(=O)(=O)CC1CCCCC1

HCID178483606

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fef2ddd70ac5465f8a7e659a852c4eab
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:21][N:22]([CH2:23][CH2:24][C:25](=[O:26])[OH:27])[CH3:28].[CH3:29][N:30]1[CH2:31][CH2:32][O:33][CH2:34][CH2:35]1.[CH3:48][N:49]([CH3:50])[CH2:51][CH2:52][CH2:53][N:54]=[C:55]=[N:56][CH2:57][CH3:58].[CH:1]1([CH2:7][S:8](=[O:9])(=[O:10])[N:11]2[CH:12]([C:17]([NH2:18])=[N:19][OH:20])[CH2:13][CH2:14][CH2:15][CH2:16]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[ClH:47].[OH2:36].[OH:37][c:38]1[c:39]2[n:40][n:41][nH:42][c:43]2[cH:44][cH:45][cH:46]1>>[CH:1]1([CH2:7][S:8](=[O:9])(=[O:10])[N:11]2[CH:12]([C:17]([NH2:18])=[N:19][O:20][C:25]([CH2:24][CH2:23][N:22]([CH3:21])[CH3:28])=[O:26])[CH2:13][CH2:14][CH2:15][CH2:16]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1