HRID2127248

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

结构：COc1c(CN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)cc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1CN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C

HCID13911214

未命名化合物

HCID178418361

未命名化合物

PRODUCTS

生成物

结构：COc1c(CN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)cc(C(=O)c2ccc(N)cc2)cc1CN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C

HCID13911215

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e8832bdbd4334d6890db75e6a486de76
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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