HRID673660

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

结构：CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID57919160

1-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl]-1H-pyrazol-3-amine

C9H15N3O2

结构：CC(C)CC(C(=O)O)N1CC(Oc2cccc(N3CCCC3)c2F)=CC1=O

HCID67503781

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(C(=O)Nc1ccn(CC2COC(C)(C)O2)n1)N1CC(Oc2cccc(N3CCCC3)c2F)=CC1=O

HCID178445152

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2e0538add9b24d87b27d157fe474c777
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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