HRID692798

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

结构：CC(C)(C)OC(=O)N1CCCC1c1cc([N+](=O)[O-])c(N)cc1Oc1ccc(-c2ccccc2F)cc1

HCID23145747

未命名化合物

HCID178418361

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCC1c1cc(N)c(N)cc1Oc1ccc(-c2ccccc2F)cc1

HCID23145792

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0dbf602ba89745448985e697563d11b4
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

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