HRID290570

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID1049

Pyridine

C5H5N

HCID6996

2-Chlorobenzaldehyde

C7H5ClO

HCID7912

Diisopropylamine

C6H15N

HCID7973

2-Bromopyridine

C5H4BrN

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID24682

Sulfur trioxide

O3S

HCID81531

Diisopropylethylamine

C8H19N

HCID178418339

未命名化合物

PRODUCTS

生成物

HCID85882881

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-abe171d042014a51b3a2254ab153ce70
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:13][c:14]1[cH:15][cH:16][cH:17][cH:18][n:19]1.[CH2:1]([Li:2])[CH2:3][CH2:4][CH3:5].[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH3:54][S:55]([CH3:56])=[O:57].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[CH:29]([N:30]([CH2:31][CH3:32])[CH:33]([CH3:34])[CH3:35])([CH3:36])[CH3:37].[CH:6]([NH:7][CH:8]([CH3:9])[CH3:10])([CH3:11])[CH3:12].[Cl:20][c:21]1[c:22]([CH:23]=[O:24])[cH:25][cH:26][cH:27][cH:28]1.[ClH:48].[S:44](=[O:45])(=[O:46])=[O:47].[n:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[Br:13][c:14]1[c:15]([C:23]([c:22]2[c:21]([Cl:20])[cH:28][cH:27][cH:26][cH:25]2)=[O:24])[cH:16][cH:17][cH:18][n:19]1