HRID215378

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID1049

Pyridine

C5H5N

HCID7477

Benzoyl chloride, 4-methoxy-

C8H7ClO2

HCID8028

Tetrahydrofuran

C4H8O

结构：CC(C)(C)OC(=O)n1nc(N)c2nc(C(=O)NC(C)(C)c3ccccc3)sc21

HCID68464944

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=O)Nc2nn(C(=O)OC(C)(C)C)c3sc(C(=O)NC(C)(C)c4ccccc4)nc23)cc1

HCID68460727

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f4fc96d711154df5afba562a622a8e94
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

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