HRID699804

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8857

Ethyl acetate

C4H8O2

结构：CN(C)c1ccc([N+](=O)[O-])c(C(=O)NCC2CCN(C(c3ccccc3)c3ccccc3)CC2)c1

HCID54209121

未命名化合物

PRODUCTS

生成物

结构：CN(C)c1ccc(N)c(C(=O)NCC2CCN(C(c3ccccc3)c3ccccc3)CC2)c1

HCID67595263

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a426100875294ce0acd0430df119fd48
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

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