HRID305747

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID12734

Diisopropylcarbodiimide

C7H14N2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID16976

Nicotinic acid 1-oxide

C6H5NO3

结构：O=C1OC(Cn2ccnn2)CN1c1ccc(-c2ccc(C3=NOC(CO)C3)nc2)c(F)c1

HCID18442958

未命名化合物

PRODUCTS

生成物

结构：O=C(OCC1CC(c2ccc(-c3ccc(N4CC(Cn5ccnn5)OC4=O)cc3F)cn2)=NO1)c1ccc[n+]([O-])c1

HCID178525010

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-62a3158131cc4d288b18e5203b4436f1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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