HRID1207468

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID14177125

tert-Butyl (3-formylpyridin-2-yl)carbamate

C11H14N2O3

反应SMILES：COCN(c1cc(Cl)cnc1Br)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1

HCID57942086

未命名化合物

HCID178461726

未命名化合物

PRODUCTS

产物

反应SMILES：COCN(c1cc(Cl)cnc1C(O)c1cccnc1NC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1

HCID57942296

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-4bcb8256e59d498faa469ff9f62e22c3
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:1][c:2]1[n:3][cH:4][c:5]([Cl:26])[cH:6][c:7]1[N:8]([S:9](=[O:10])(=[O:11])[c:12]1[cH:13][c:14]([C:19]([F:20])([F:21])[F:22])[c:15]([Cl:18])[cH:16][cH:17]1)[CH2:23][O:24][CH3:25].[C:32]([CH3:33])([CH3:34])([CH3:35])[O:36][C:37]([NH:38][c:39]1[n:40][cH:41][cH:42][cH:43][c:44]1[CH:45]=[O:46])=[O:47].[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH:28]([Mg+:29])([CH3:30])[CH3:31].[Cl-:27]>>[c:2]1([CH:45]([c:44]2[c:39]([NH:38][C:37]([O:36][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:47])[n:40][cH:41][cH:42][cH:43]2)[OH:46])[n:3][cH:4][c:5]([Cl:26])[cH:6][c:7]1[N:8]([S:9](=[O:10])(=[O:11])[c:12]1[cH:13][c:14]([C:19]([F:20])([F:21])[F:22])[c:15]([Cl:18])[cH:16][cH:17]1)[CH2:23][O:24][CH3:25]