HRID1228968

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID76970

5-Chloro-o-anisic acid

C8H7ClO3

HCID66643111

未命名化合物

PRODUCTS

生成物

结构：CCCCN1CC(C)(C)SC1=NC(=O)c1cc(Cl)ccc1OC

HCID24967800

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2d30dbfd9d504f5c8e460c1dfed0a5fb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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