HRID2123689

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

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+

HCID3723035

未命名化合物

HCID13365884

2-Amino-1-[3-(trifluoromethyl)phenyl]ethan-1-one

C9H8F3NO

PRODUCTS

生成物

结构：O=C(NCC1CCC(C(=O)NCC(=O)c2cccc(C(F)(F)F)c2)CC1)OCc1ccccc1

HCID12154029

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6122bdd39c8b403c98b422a83e8d68b5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[O:23][C:24](=[O:25])[NH:26][CH2:27][CH:28]1[CH2:29][CH2:30][CH:31]([C:34](=[O:35])[OH:36])[CH2:32][CH2:33]1.[CH3:64][CH2:65][N:66]([CH2:67][CH3:68])[CH2:69][CH3:70].[ClH:1].[NH2:2][CH2:3][C:4](=[O:5])[c:6]1[cH:7][c:8]([C:12]([F:13])([F:14])[F:15])[cH:9][cH:10][cH:11]1.[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[OH2:76].[P-:37]([F:38])([F:39])([F:40])([F:41])([F:42])[F:43].[n:44]1([O:45][P+:46]([N:47]([CH3:48])[CH3:49])([N:50]([CH3:51])[CH3:52])[N:53]([CH3:54])[CH3:55])[c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[NH:2]([CH2:3][C:4](=[O:5])[c:6]1[cH:7][c:8]([C:12]([F:13])([F:14])[F:15])[cH:9][cH:10][cH:11]1)[C:34]([CH:31]1[CH2:30][CH2:29][CH:28]([CH2:27][NH:26][C:24]([O:23][CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)=[O:25])[CH2:33][CH2:32]1)=[O:35]