HRID1229707

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

HCID9321

Hydrazine

H4N2

HCID19660

Carbonate

CO3-2

HCID42614217

tert-Butyl 3-bromopyrrolidine-1-carboxylate

C9H16BrNO2

结构：N#Cc1cc(-n2nc(C(F)(F)F)cc2-c2ccco2)cs1

HCID59843204

未命名化合物

HCID178506075

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(n2nc(C(F)(F)F)cc2-c2ccco2)C1

HCID69300890

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f91ae280d5f54cd3a2e40bbc0bad7c92
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][CH:2]1[CH2:3][N:4]([C:7](=[O:8])[O:9][C:10]([CH3:11])([CH3:12])[CH3:13])[CH2:5][CH2:6]1.[C:14](=[O:15])([O-:16])[O-:17].[K+:18].[K+:19].[NH2:56][NH2:57].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[OH2:55].[o:20]1[c:21](-[c:25]2[cH:26][c:27]([C:30]([F:31])([F:32])[F:33])[n:28][nH:29]2)[cH:22][cH:23][cH:24]1.[o:34]1[cH:35][cH:36][cH:37][c:38]1-[c:39]1[n:40](-[c:41]2[cH:42][c:43]([C:44]#[N:45])[s:46][cH:47]2)[n:48][c:49]([C:50]([F:51])([F:52])[F:53])[cH:54]1>>[CH:2]1([n:29]2[c:25](-[c:21]3[o:20][cH:24][cH:23][cH:22]3)[cH:26][c:27]([C:30]([F:31])([F:32])[F:33])[n:28]2)[CH2:3][N:4]([C:7](=[O:8])[O:9][C:10]([CH3:11])([CH3:12])[CH3:13])[CH2:5][CH2:6]1