HRID700105

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID2760898

Tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

C10H18N2O2

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(N2CC3CC2CN3C(=O)OC(C)(C)C)n2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2n1

HCID72349066

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-040218ca249e4695ae0c0c4a6b9ec533
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

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