HRID2324713

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID2758352

4,4-difluoropiperidine

C5H9F2N

反应SMILES：Cc1c(C(=O)O)oc2cc(OC3CCN(C(C)C)CC3)c(Cl)cc12

HCID68723620

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1c(C(=O)N2CCC(F)(F)CC2)oc2cc(OC3CCN(C(C)C)CC3)c(Cl)cc12

HCID68724082

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-0b0f6e05818d4ad4b5a092e4e6d1db88
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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