HRID1200866

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

2 次

HCID923

Sodium ion

Na+

HCID1049

Pyridine

C5H5N

HCID23443363

未命名化合物

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)c2ccc(N3CCOCC3)cc2)c2nc(C(=O)NC(C)(C)c3ccccc3)sc21

HCID68462978

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bfd9967f02324f11a4b9c266e43e08b6
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

[Cl-:47].[ClH:29].[ClH:30].[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+:46].[O:31]1[CH2:32][CH2:33][N:34]([c:37]2[cH:38][cH:39][c:40]([C:41](=[O:42])[Cl:43])[cH:44][cH:45]2)[CH2:35][CH2:36]1.[cH:48]1[cH:49][cH:50][n:51][cH:52][cH:53]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:41]([c:40]1[cH:39][cH:38][c:37]([N:34]2[CH2:33][CH2:32][O:31][CH2:36][CH2:35]2)[cH:45][cH:44]1)=[O:42]