HRID668129

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID31275

1,4-Dioxane

C4H8O2

结构：Cc1ncc(CCCN(C(=O)[O-])C(C)(C)C)cc1Nc1ncc2c(n1)-c1ccc(C(F)(F)F)cc1NC(=O)C2

HCID178432739

未命名化合物

PRODUCTS

生成物

结构：Cc1ncc(CCCN)cc1Nc1ncc2c(n1)-c1ccc(C(F)(F)F)cc1NC(=O)C2

HCID59405024

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2732b361cb614bbaa1ff5ff63d7721d6
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:2]([N:6]([C:3](=[O:4])[O-:5])[CH2:10][CH2:11][CH2:12][c:13]1[cH:14][n:15][c:16]([CH3:40])[c:17]([NH:19][c:20]2[n:21][cH:22][c:23]3[c:29]([n:30]2)-[c:28]2[c:27]([cH:34][c:33]([C:35]([F:36])([F:37])[F:38])[cH:32][cH:31]2)[NH:26][C:25](=[O:39])[CH2:24]3)[cH:18]1)([CH3:7])([CH3:8])[CH3:9].[ClH:1].[O:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1>>[NH2:6][CH2:10][CH2:11][CH2:12][c:13]1[cH:14][n:15][c:16]([CH3:40])[c:17]([NH:19][c:20]2[n:21][cH:22][c:23]3[c:29]([n:30]2)-[c:28]2[c:27]([cH:34][c:33]([C:35]([F:36])([F:37])[F:38])[cH:32][cH:31]2)[NH:26][C:25](=[O:39])[CH2:24]3)[cH:18]1