HRID110042

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID19660

Carbonate

CO3-2

HCID81531

Diisopropylethylamine

C8H19N

HCID2760898

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

C10H18N2O2

HCID57832671

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC2CC1CN2c1nc(-c2ccnc(Cl)c2)cc2nccn12

HCID57832680

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b4e0980896b04564afae96479e0f9d20
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:18](=[O:19])([O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[N:25]1[CH:26]2[CH2:27][NH:28][CH:29]([CH2:30]1)[CH2:31]2.[CH3:48][N:49]1[CH2:50][CH2:51][CH2:52][C:53]1=[O:54].[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[Cl:1][c:2]1[n:3][c:4](-[c:11]2[cH:12][c:13]([Cl:17])[n:14][cH:15][cH:16]2)[cH:5][c:6]2[n:7]1[cH:8][cH:9][n:10]2.[K+:32].[K+:33].[O-:34][C:35]([O-:36])=[O:37].[OH2:47]>>[c:2]1([N:28]2[CH2:27][CH:26]3[N:25]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:30][CH:29]2[CH2:31]3)[n:3][c:4](-[c:11]2[cH:12][c:13]([Cl:17])[n:14][cH:15][cH:16]2)[cH:5][c:6]2[n:7]1[cH:8][cH:9][n:10]2