HRID676744

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID166653

Hydride

H-

HCID4641125

1-(5-Bromopyrimidin-2-yl)-4-piperidinol

C9H12BrN3O

结构：CS(=O)(=O)c1ccc(N2CCc3c(Cl)ncnc32)c(F)c1

HCID42636822

4-Chloro-7-[2-fluoro-4-(methanesulfonyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine

C13H11ClFN3O2S

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc(N2CCc3c(OC4CCN(c5ncc(Br)cn5)CC4)ncnc32)c(F)c1

HCID44177590

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-750757c9dce04956bdbe88c8c437d98b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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