HRID1212630

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID8471

Triethylamine

C6H15N

HCID420771

4-Piperidinemethanol

C6H13NO

结构：Clc1ncc(Br)c(OC2CN(c3ccc4ccccc4n3)C2)n1

HCID58547777

未命名化合物

PRODUCTS

生成物

结构：OCC1CCN(c2ncc(Br)c(OC3CN(c4ccc5ccccc5n4)C3)n2)CC1

HCID58547731

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b676f4c5049549bf9687afc10ca27111
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[c:3]([O:9][CH:10]2[CH2:11][N:12]([c:14]3[n:15][c:16]4[cH:17][cH:18][cH:19][cH:20][c:21]4[cH:22][cH:23]3)[CH2:13]2)[n:4][c:5]([Cl:8])[n:6][cH:7]1.[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:39][S:40]([CH3:41])=[O:42].[NH:24]1[CH2:25][CH2:26][CH:27]([CH2:30][OH:31])[CH2:28][CH2:29]1>>[Br:1][c:2]1[c:3]([O:9][CH:10]2[CH2:11][N:12]([c:14]3[n:15][c:16]4[cH:17][cH:18][cH:19][cH:20][c:21]4[cH:22][cH:23]3)[CH2:13]2)[n:4][c:5]([N:24]2[CH2:25][CH2:26][CH:27]([CH2:30][OH:31])[CH2:28][CH2:29]2)[n:6][cH:7]1