HRID1572521

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6422

Trifluoroacetic acid

C2HF3O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID21988145

未命名化合物

HCID21988153

未命名化合物

PRODUCTS

产物

HCID10345790

PharmaGSID_48519

C22H20BrN5O4

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-6f51e8e93a71406e81459183a785f43c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

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