HRID2339842

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID887

Methanol

CH4O

HCID287210

4-Chloro-6-nitroquinoline

C9H5ClN2O2

结构：Cc1cc(Nc2ccc(NC(=O)c3ccc(N)cc3)cc2)nc(N)n1

HCID59457966

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4ccnc5ccc([N+](=O)[O-])cc45)cc3)cc2)nc(N)n1

HCID24857962

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e42d2e040e64e719b20307b181136ef
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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