HRID151001

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID887

Methanol

CH4O

HCID6342

Acetonitrile

C2H3N

HCID4233041

3-Boc-aminopiperidine

C10H20N2O2

结构：Cc1cc(C(=O)Nc2c[nH]c3ncc(Br)c(F)c23)no1

HCID60205431

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)Nc2c[nH]c3ncc(Br)c(N4CCCC(NC(=O)OC(C)(C)C)C4)c23)no1

HCID60205432

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e36ecc2530c04a8e964969382e5564fd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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