HRID206260

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID48038

1-Heptanamine, N-ethyl-

C9H21N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID11369274

4-(4-(Methylsulfonamido)phenyl)-4-oxobutanoic acid

C11H13NO5S

PRODUCTS

生成物

结构：CCCCCCCN(CC)C(=O)CCC(=O)c1ccc(NS(C)(=O)=O)cc1

HCID14891420

N-Ethyl-N-heptyl-4-{4-[(methanesulfonyl)amino]phenyl}-4-oxobutanamide

C20H32N2O4S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-804a965b809d460f802d45f8a7ea6b33
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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