HRID838256

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID2760898

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

C10H18N2O2

结构：FC(F)(F)c1cccc(-c2c(-c3ccnc(Cl)c3)nc(Cl)n3cnnc23)c1

HCID22346603

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC2CC1CN2c1nc(-c2ccnc(Cl)c2)c(-c2cccc(C(F)(F)F)c2)c2nncn12

HCID22346619

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6816a1208e7b4c7c84af8f4128e6f1dd
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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