HRID312280

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID2734122

3-(Methylamino)propane-1,2-diol

C4H11NO2

结构：CC1(C)OC(=C2C(=O)Nc3cc(F)c(F)cc32)C=C1c1ccc(C(=O)O)cc1

HCID69449925

未命名化合物

PRODUCTS

生成物

结构：CN(CC(O)CO)C(=O)c1ccc(C2=CC(=C3C(=O)Nc4cc(F)c(F)cc43)OC2(C)C)cc1

HCID69450886

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-791e5d3147a148de92dd8207862f1749
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

[CH3:29][NH:30][CH2:31][CH:32]([CH2:33][OH:34])[OH:35].[CH:60]([N:61]([CH:62]([CH3:63])[CH3:64])[CH2:65][CH3:66])([CH3:67])[CH3:68].[F:1][c:2]1[cH:3][c:4]2[c:8]([cH:9][c:10]1[F:11])[NH:7][C:6](=[O:12])[C:5]2=[C:13]1[CH:14]=[C:15]([c:20]2[cH:21][cH:22][c:23]([C:24](=[O:25])[OH:26])[cH:27][cH:28]2)[C:16]([CH3:18])([CH3:19])[O:17]1.[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[OH2:74].[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>>[F:1][c:2]1[cH:3][c:4]2[c:8]([cH:9][c:10]1[F:11])[NH:7][C:6](=[O:12])[C:5]2=[C:13]1[CH:14]=[C:15]([c:20]2[cH:21][cH:22][c:23]([C:24](=[O:26])[N:30]([CH3:29])[CH2:31][CH:32]([CH2:33][OH:34])[OH:35])[cH:27][cH:28]2)[C:16]([CH3:18])([CH3:19])[O:17]1