HRID101407

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

2 次

HCID4574913

未命名化合物

结构：CC(O)(CN1CCN(C(=O)OCC=Cc2ccc(C(F)(F)F)cc2)CC1)Cn1cc([N+](=O)[O-])nc1Sc1ccc([N+](=O)[O-])cc1

HCID91600555

未命名化合物

PRODUCTS

生成物

结构：CC1(CN2CCN(C(=O)OCC=Cc3ccc(C(F)(F)F)cc3)CC2)Cn2cc([N+](=O)[O-])nc2O1

HCID67157282

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8dfa1944be26452c949b9f419c44d32b
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:60]([O:61][CH2:62][CH3:63])(=[O:64])[CH3:65].[CH3:1][N:2]([CH3:3])[CH:4]=[O:5].[CH3:51][C:52]([CH3:53])([O-:54])[CH3:55].[CH3:58][OH:59].[CH3:69][CH2:70][O:71][C:72](=[O:73])[CH3:74].[Cl:66][CH2:67][Cl:68].[N+:6](=[O:7])([O-:8])[c:9]1[n:10][c:11]([S:41][c:42]2[cH:43][cH:44][c:45]([N+:46]([O-:47])=[O:48])[cH:49][cH:50]2)[n:12]([CH2:14][C:15]([CH2:16][N:17]2[CH2:18][CH2:19][N:20]([C:23](=[O:24])[O:25][CH2:26][CH:27]=[CH:28][c:29]3[cH:30][cH:31][c:32]([C:35]([F:36])([F:37])[F:38])[cH:33][cH:34]3)[CH2:21][CH2:22]2)([CH3:39])[OH:40])[cH:13]1.[Na+:56].[OH2:57]>>[N+:6](=[O:7])([O-:8])[c:9]1[n:10][c:11]2[n:12]([cH:13]1)[CH2:14][C:15]([CH2:16][N:17]1[CH2:18][CH2:19][N:20]([C:23](=[O:24])[O:25][CH2:26][CH:27]=[CH:28][c:29]3[cH:30][cH:31][c:32]([C:35]([F:36])([F:37])[F:38])[cH:33][cH:34]3)[CH2:21][CH2:22]1)([CH3:39])[O:40]2