HRID282183

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID846150

4-(piperidin-1-ylmethyl)aniline

C12H18N2

HCID15922445

未命名化合物

PRODUCTS

生成物

结构：CC1SC(C(=O)Nc2ccc(CN3CCCCC3)cc2)Cc2cc3c(cc2C1=O)OCO3

HCID178435065

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-47d293cd3e744e0b8ac21045f589e90d
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

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