HRID98994

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)c1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc(C(C)(C)C)c1O

HCID21918641

未命名化合物

结构：Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)Nc1ccc([N+](=O)[O-])cc1)O2

HCID21918665

未命名化合物

PRODUCTS

生成物

结构：Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)Nc1ccc(N)cc1)O2

HCID10947808

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-db66ae0f46fc4ea397372aa76feee9ff
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:28][C:29]([c:30]1[cH:31][c:32]([C:33]([N:34]2[CH2:35][CH2:36][N:37]([c:38]3[cH:39][cH:40][c:41]([N+:42]([O-:43])=[O:44])[cH:45][cH:46]3)[CH2:47][CH2:48]2)=[O:49])[cH:50][c:51]([C:52]([CH3:53])([CH3:54])[CH3:55])[c:56]1[OH:57])([CH3:58])[CH3:59].[OH:1][c:2]1[c:3]([CH3:27])[c:4]([CH3:26])[c:5]2[c:6]([c:24]1[CH3:25])[CH2:7][CH2:8][C:9]([C:11](=[O:12])[NH:13][c:14]1[cH:15][cH:16][c:17]([N+:20]([O-:21])=[O:22])[cH:18][cH:19]1)([CH3:23])[O:10]2>>[OH:1][c:2]1[c:3]([CH3:27])[c:4]([CH3:26])[c:5]2[c:6]([c:24]1[CH3:25])[CH2:7][CH2:8][C:9]([C:11](=[O:12])[NH:13][c:14]1[cH:15][cH:16][c:17]([NH2:20])[cH:18][cH:19]1)([CH3:23])[O:10]2