HRID667454

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID64801

Benzenepropanoyl chloride

C9H9ClO

HCID86642513

未命名化合物

PRODUCTS

生成物

结构：O=C(CCc1ccccc1)Nc1nc(Cc2ccccc2)c(C(=O)NCc2ccccc2)s1

HCID59369667

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0b02898f46224182a417acd5f102b232
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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