HRID301967

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID69702

Cyclohexanepropionic acid

C9H16O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID18969010

未命名化合物

PRODUCTS

生成物

结构：CN1C(=O)C(NC(=O)CCC2CCCCC2)N=C(c2ccccc2)c2ccsc21

HCID18968930

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-97751fe6f62b46d1bb462a488f5b1a68
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

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