HRID202934

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID21363

Cyclohexaneacetic acid

C8H14O2

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

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID2777786

1-[3-(Trifluoromethyl)-2-pyridinyl]piperazine

C10H12F3N3

PRODUCTS

生成物

结构：O=C(CC1CCCCC1)N1CCN(c2ncccc2C(F)(F)F)CC1

HCID68548128

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-22a49906b2d5467aaea7a1cf22feccd0
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

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