HRID93946

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID262719

3-(acetylthio)propanoic acid

C5H8O3S

HCID53427198

4-({4-[(Piperidin-1-yl)methyl]pyridin-2-yl}oxy)but-2-en-1-amine

C15H23N3O

PRODUCTS

生成物

结构：CC(=O)SCCC(=O)NCC=CCOc1cc(CN2CCCCC2)ccn1

HCID57317403

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e56c707762924f8f989e41dff00fc99b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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