HRID209888

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID1049

Pyridine

C5H5N

HCID8028

Tetrahydrofuran

C4H8O

HCID2776377

3-Thenoyl chloride

C5H3ClOS

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：CC(C)(C)OC(=O)n1nc(NC(=O)c2ccsc2)c2nc(C(=O)NC(C)(C)c3ccccc3)sc21

HCID68464926

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a1ce84a775734b1a9ecc9721d1901f44
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

[Cl-:38].[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+:37].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1.[cH:39]1[cH:40][cH:41][n:42][cH:43][cH:44]1.[s:29]1[cH:30][c:31]([C:34](=[O:35])[Cl:36])[cH:32][cH:33]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:34]([c:31]1[cH:30][s:29][cH:33][cH:32]1)=[O:35]