HRID959642

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COc1cc([N+](=O)[O-])c(NC2CCN(C(=O)OC(C)(C)C)CC2)cc1C

HCID59850134

未命名化合物

结构：Cc1cc(NC2CCN(C(=O)OC(C)(C)C)CC2)c(N)cc1F

HCID59850183

未命名化合物

PRODUCTS

生成物

结构：COc1cc(N)c(NC2CCN(C(=O)OC(C)(C)C)CC2)cc1C

HCID59850170

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f62d7a42d8c4501a9a4e4057f75f9b6
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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