HRID115001

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID6342

Acetonitrile

C2H3N

HCID7914

Isopropyl ether

C6H14O

2 次

结构：CN(C(=O)CN(C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccccc1

HCID14996988

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CN(C(=O)CN(C(=O)CNC(=O)Nc1cccc(N)c1)c1ccccc1)c1ccccc1

HCID14996993

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-39dfe3d1cb1941c7b75fd3ea5ac23902
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

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