HRID212927

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID123063

1-(4-Fluorophenyl)ethan-1-amine

C8H10FN

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

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

结构：CC(COCc1cc(C(=O)O)cc(C2(C#N)CCCC2)c1)(Cc1ccccc1)NC(=O)OC(C)(C)C

HCID67319183

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)c1cc(COCC(C)(Cc2ccccc2)NC(=O)OC(C)(C)C)cc(C2(C#N)CCCC2)c1)c1ccc(F)cc1

HCID67319543

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5eb93cb5fcd24221b64561cd0de8ec67
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]([CH2:10][O:11][CH2:12][c:13]1[cH:14][c:15]([C:16](=[O:17])[OH:18])[cH:19][c:20]([C:22]2([C:27]#[N:28])[CH2:23][CH2:24][CH2:25][CH2:26]2)[cH:21]1)([CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)[CH3:36].[CH:74]([N:75]([CH:76]([CH3:77])[CH3:78])[CH2:79][CH3:80])([CH3:81])[CH3:82].[F:37][c:38]1[cH:39][cH:40][c:41]([CH:44]([CH3:45])[NH2:46])[cH:42][cH:43]1.[O:83]=[CH:84][N:85]([CH3:86])[CH3:87].[P-:47]([F:48])([F:49])([F:50])([F:51])([F:52])[F:53].[n:54]1([O:55][P+:56]([N:57]([CH3:58])[CH3:59])([N:60]([CH3:61])[CH3:62])[N:63]([CH3:64])[CH3:65])[c:66]2[cH:67][cH:68][cH:69][cH:70][c:71]2[n:72][n:73]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]([CH2:10][O:11][CH2:12][c:13]1[cH:14][c:15]([C:16](=[O:18])[NH:46][CH:44]([c:41]2[cH:40][cH:39][c:38]([F:37])[cH:43][cH:42]2)[CH3:45])[cH:19][c:20]([C:22]2([C:27]#[N:28])[CH2:23][CH2:24][CH2:25][CH2:26]2)[cH:21]1)([CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)[CH3:36]