HRID144277

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID12550576

Methyl 4-amino-4-oxobutanoate

C5H9NO3

结构：Nc1nc2cc(OS(=O)(=O)c3ccc(-n4ccnc4)cc3)ccc2[nH]1

HCID178508206

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCC(=O)Nc1nc2cc(OS(=O)(=O)c3ccc(-n4ccnc4)cc3)ccc2[nH]1

HCID178500555

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8a89ffb0bd684e6fba005b02b623a69b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:1][O:2][C:3]([CH2:4][CH2:5][C:6](=[O:7])[NH2:8])=[O:9].[CH3:68][N:69]([CH3:70])[CH:71]=[O:72].[CH:34]([N:35]([CH:36]([CH3:37])[CH3:38])[CH2:39][CH3:40])([CH3:41])[CH3:42].[P-:10]([F:11])([F:12])([F:13])([F:14])([F:15])[F:16].[n:17]1([O:18][C:19]([N:20]([CH3:21])[CH3:22])=[N+:23]([CH3:24])[CH3:25])[c:26]2[cH:27][cH:28][cH:29][cH:30][c:31]2[n:32][n:33]1.[n:43]1(-[c:48]2[cH:49][cH:50][c:51]([S:54](=[O:55])(=[O:56])[O:57][c:58]3[cH:59][c:60]4[c:61]([nH:62][c:63]([NH2:65])[n:64]4)[cH:66][cH:67]3)[cH:52][cH:53]2)[cH:44][n:45][cH:46][cH:47]1>>[CH3:1][O:2][C:3]([CH2:4][CH2:5][C:6](=[O:7])[NH:8][c:63]1[nH:62][c:61]2[c:60]([cH:59][c:58]([O:57][S:54]([c:51]3[cH:50][cH:49][c:48](-[n:43]4[cH:44][n:45][cH:46][cH:47]4)[cH:53][cH:52]3)(=[O:55])=[O:56])[cH:67][cH:66]2)[n:64]1)=[O:9]