HRID666587

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5603

2-Aminoheptane

C7H17N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

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

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

结构：O=C(O)C1=NOC(C(O)(C(F)(F)F)C(F)(F)F)C1

HCID11323479

未命名化合物

PRODUCTS

生成物

结构：CCCCCC(C)NC(=O)C1=NOC(C(O)(C(F)(F)F)C(F)(F)F)C1

HCID10270978

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a1d2e70749c04356b85953d69c8ed770
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

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