HRID1541168

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID9237

1,4-Diazabicyclo[2.2.2]octane

C6H12N2

HCID81531

Diisopropylethylamine

C8H19N

HCID287986

1-tert-butylazetidin-3-ol

C7H15NO

结构：Cc1nc(Cl)n2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2n1

HCID59655729

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(OC2CN(C(C)(C)C)C2)n2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2n1

HCID59655715

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f75618f7ecce46e198926bd9bb250564
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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