HRID165621

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

HCID98606

1-(p-Chlorophenyl)cyclopropanecarboxylic acid

C10H9ClO2

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

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID66661967

未命名化合物

PRODUCTS

生成物

结构：O=C(N1CCC2(C1)NS(=O)(=O)c1ccccc12)C1(c2ccc(Cl)cc2)CC1

HCID66661507

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dae8f7a3c2a846d683acc9b22077d87e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:14][N:15]([CH3:16])[CH:17]=[O:18].[CH:61]([N:62]([CH2:63][CH3:64])[CH:65]([CH3:66])[CH3:67])([CH3:68])[CH3:69].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([C:11](=[O:12])[OH:13])[CH2:9][CH2:10]2)[cH:6][cH:7]1.[NH:19]1[CH2:20][C:21]2([NH:22][S:23](=[O:30])(=[O:31])[c:24]3[c:25]2[cH:26][cH:27][cH:28][cH:29]3)[CH2:32][CH2:33]1.[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>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([C:11](=[O:13])[N:19]3[CH2:20][C:21]4([NH:22][S:23](=[O:30])(=[O:31])[c:24]5[c:25]4[cH:26][cH:27][cH:28][cH:29]5)[CH2:32][CH2:33]3)[CH2:9][CH2:10]2)[cH:6][cH:7]1