HRID2312823

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+

HCID136302

3-(4-Fluorophenyl)propionic acid

C9H9FO2

结构：CCc1ccc(CCNC(=O)C2(Cc3ccccc3F)CCNCC2)cc1

HCID23600933

未命名化合物

PRODUCTS

生成物

结构：CCc1ccc(CCNC(=O)C2(Cc3ccccc3F)CCN(C(=O)CCc3ccc(F)cc3)CC2)cc1

HCID23600932

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f89876b718d4e1f91b83346706f7a2d
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

[CH2:28]([CH3:29])[c:30]1[cH:31][cH:32][c:33]([CH2:36][CH2:37][NH:38][C:39](=[O:40])[C:41]2([CH2:47][c:48]3[c:49]([F:54])[cH:50][cH:51][cH:52][cH:53]3)[CH2:42][CH2:43][NH:44][CH2:45][CH2:46]2)[cH:34][cH:35]1.[CH2:79]([O:80][CH2:81][CH3:82])[CH3:83].[CH3:67][CH2:68][N:69]([CH2:70][CH3:71])[CH2:72][CH3:73].[F:55][c:56]1[cH:57][cH:58][c:59]([CH2:62][CH2:63][C:64](=[O:65])[OH:66])[cH:60][cH:61]1.[O:74]1[CH2:75][CH2:76][CH2:77][CH2:78]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:39](=[O:40])[C:41]2([CH2:47][c:48]3[c:49]([F:54])[cH:50][cH:51][cH:52][cH:53]3)[CH2:42][CH2:43][N:44]([C:64]([CH2:63][CH2:62][c:59]3[cH:58][cH:57][c:56]([F:55])[cH:61][cH:60]3)=[O:65])[CH2:45][CH2:46]2)[cH:34][cH:35]1