HRID1225419

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID118533

4-Bromo-2-nitroanisole

C7H6BrNO3

HCID2758519

3-(Dimethylamino)pyrrolidine

C6H14N2

结构：COc1ccc(N2CCOCC2)c2sc(NC(=O)c3ccc(C)s3)nc12

HCID86584913

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(N2CCC(N(C)C)C2)c2sc(NC(=O)c3ccc(C)s3)nc12

HCID86584914

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cee89e1388b341ec9013c70c45fe39b4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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