HRID2318589

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID8028

Tetrahydrofuran

C4H8O

HCID24813

Phosphoric trichloride

Cl3OP

HCID73922

2-(Acetyloxy)-5-bromobenzoic acid

C9H7BrO4

HCID85823492

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Oc1ccc(Br)cc1C(=O)Nc1nc(C(C)(C)C)c(N2CCCCC2)s1

HCID86602681

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9e01ea6a1a954c8e9b5bf0bcac67cf68
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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