HRID700459

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

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

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID144047

4-Ethylphenethylamine

C10H15N

结构：CC(C)(C)OC(=O)N1CCC(Cc2ccccc2F)(C(=O)O)CC1

HCID23600531

未命名化合物

PRODUCTS

生成物

结构：CCc1ccc(CCNC(=O)C2(Cc3ccccc3F)CCN(C(=O)OC(C)(C)C)CC2)cc1

HCID23601076

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-46156bfd267f4b4c99165142357ccd7f
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

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