HRID126447

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID12069231

8-OXA-3-AZABICYCLO[3.2.1]OCTANE

C6H11NO

HCID53415349

tert-Butyl 3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carboxylate

C11H20N2O3

结构：Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(CC(F)(F)F)c3n2)cc1

HCID57424636

未命名化合物

结构：CC(C)(C)OC(=O)N1CC2COCC(C1)N2c1nc(-c2ccc([N+](=O)[O-])cc2)nc2c1cnn2CC(F)(F)F

HCID66589067

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC2COCC(C1)N2c1nc(-c2ccc(N)cc2)nc2c1cnn2CC(F)(F)F

HCID66588941

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9e2073461eaf4d31b05c4598ef5e0f24
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

[CH:40]12[O:41][CH:42]([CH2:43][CH2:44]1)[CH2:45][N:46]([c:47]1[n:48][c:49](-[c:50]3[cH:51][cH:52][c:53]([NH2:54])[cH:55][cH:56]3)[n:57][c:58]3[n:59]([CH2:60][C:61]([F:62])([F:63])[F:64])[n:65][cH:66][c:67]13)[CH2:68]2.[CH:69]12[NH:70][CH:71]([CH2:72][N:73]([C:74]([O:75][C:76]([CH3:77])([CH3:78])[CH3:79])=[O:80])[CH2:81]1)[CH2:82][O:83][CH2:84]2.[CH:86]12[O:87][CH:88]([CH2:89][CH2:90]1)[CH2:91][NH:92][CH2:93]2.[ClH:85].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7](-[c:10]2[n:11][c:12]([N:24]3[CH:25]4[CH2:26][O:27][CH2:28][CH:29]3[CH2:30][N:31]([C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[CH2:32]4)[c:13]3[c:14]([n:15]2)[n:16]([CH2:19][C:20]([F:21])([F:22])[F:23])[n:17][cH:18]3)[cH:8][cH:9]1>>[NH2:1][c:4]1[cH:5][cH:6][c:7](-[c:10]2[n:11][c:12]([N:24]3[CH:25]4[CH2:26][O:27][CH2:28][CH:29]3[CH2:30][N:31]([C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[CH2:32]4)[c:13]3[c:14]([n:15]2)[n:16]([CH2:19][C:20]([F:21])([F:22])[F:23])[n:17][cH:18]3)[cH:8][cH:9]1