HRID97373

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID81531

Diisopropylethylamine

C8H19N

HCID2763285

5-Bromo-2-chloro-3-fluoropyridine

C5H2BrClFN

HCID57461147

未命名化合物

PRODUCTS

生成物

结构：CC(C)OC(=O)N1CCC(ON=C2CCN(c3ncc(Br)cc3F)CC2)CC1

HCID86655009

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c5c45f826daa4cd288fc4c492af30407
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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