HRID160256

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID9886

Hexafluorophosphate ion

F6P-

HCID70542

1-(2,5-Xylyl)piperazine

C12H18N2

HCID81531

Diisopropylethylamine

C8H19N

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

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

结构：COc1cccc(S(=O)(=O)N2CC(C(=O)O)N(c3ccccc3)C2=O)c1

HCID67141122

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(S(=O)(=O)N2CC(C(=O)N3CCN(c4cc(C)ccc4C)CC3)N(c3ccccc3)C2=O)c1

HCID25027492

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd29d02406d04330bd85931ff3de9376
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

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