HRID2345750

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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+

HCID57425536

未命名化合物

HCID57488862

{3-oxo-6-[(trifluoromethyl)oxy]-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetic acid

C11H8F3NO5

PRODUCTS

生成物

结构：CN(C(=O)CN1C(=O)COc2ccc(OC(F)(F)F)cc21)C(CN1CCOCC1)c1ccc(-c2ccccc2)cc1

HCID57418647

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bfcd3e18de43421aaf96bfeb060a3b99
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

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