HRID93055

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID31275

1,4-Dioxane

C4H8O2

HCID61055

4-Morpholinepropanamine

C7H16N2O

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：NC(=O)C(=C1Nc2ccc(C(=O)O)cc2N1)c1nccc(C(F)(F)F)n1

HCID66593404

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：NC(=O)C(=C1Nc2ccc(C(=O)NCCCN3CCOCC3)cc2N1)c1nccc(C(F)(F)F)n1

HCID66593310

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-231f8b9fb8404e66b64327a368a00e2b
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:1](=[O:2])([OH:3])[c:4]1[cH:5][c:6]2[c:7]([cH:25][cH:26]1)[NH:8][C:9](=[C:11]([C:12](=[O:13])[NH2:14])[c:15]1[n:16][cH:17][cH:18][c:19]([C:21]([F:22])([F:23])[F:24])[n:20]1)[NH:10]2.[CH3:71][N:72]([CH3:73])[CH:74]=[O:75].[CH:27]([N:28]([CH2:29][CH3:30])[CH:31]([CH3:32])[CH3:33])([CH3:34])[CH3:35].[ClH:70].[O:60]1[CH2:61][CH2:62][N:63]([CH2:66][CH2:67][CH2:68][NH2:69])[CH2:64][CH2:65]1.[O:76]1[CH2:77][CH2:78][O:79][CH2:80][CH2:81]1.[P-:36]([F:37])([F:38])([F:39])([F:40])([F:41])[F:42].[n:43]1([O:44][C:45]([N:46]([CH3:47])[CH3:48])=[N+:49]([CH3:50])[CH3:51])[c:52]2[cH:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1>>[C:1](=[O:3])([c:4]1[cH:5][c:6]2[c:7]([cH:25][cH:26]1)[NH:8][C:9](=[C:11]([C:12](=[O:13])[NH2:14])[c:15]1[n:16][cH:17][cH:18][c:19]([C:21]([F:22])([F:23])[F:24])[n:20]1)[NH:10]2)[NH:69][CH2:68][CH2:67][CH2:66][N:63]1[CH2:62][CH2:61][O:60][CH2:65][CH2:64]1.[ClH:70]