HRID1569239

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

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

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

结构：COC(=O)C(NS(=O)(=O)c1ccc(-c2ccc(N)cc2)cc1)C(C)C

HCID66909162

未命名化合物

HCID68717306

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(NS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3oc4cccc(N5CCOCC5)c4c3C)cc2)cc1)C(C)C

HCID68712380

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fc735825b0854b04bee89f4ecd7bca92
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:1][c:2]1[c:3]([C:17](=[O:18])[OH:19])[o:4][c:5]2[c:6]1[c:7]([N:11]1[CH2:12][CH2:13][O:14][CH2:15][CH2:16]1)[cH:8][cH:9][cH:10]2.[CH3:20][O:21][C:22]([CH:23]([CH:24]([CH3:25])[CH3:26])[NH:27][S:28](=[O:29])(=[O:30])[c:31]1[cH:32][cH:33][c:34](-[c:37]2[cH:38][cH:39][c:40]([NH2:43])[cH:41][cH:42]2)[cH:35][cH:36]1)=[O:44].[CH:72]([N:73]([CH2:74][CH3:75])[CH:76]([CH3:77])[CH3:78])([CH3:79])[CH3:80].[O:81]=[CH:82][N:83]([CH3:84])[CH3:85].[P-:45]([F:46])([F:47])([F:48])([F:49])([F:50])[F:51].[n:52]1([O:53][P+:54]([N:55]([CH3:56])[CH3:57])([N:58]([CH3:59])[CH3:60])[N:61]([CH3:62])[CH3:63])[c:64]2[cH:65][cH:66][cH:67][cH:68][c:69]2[n:70][n:71]1>>[CH3:1][c:2]1[c:3]([C:17](=[O:19])[NH:43][c:40]2[cH:39][cH:38][c:37](-[c:34]3[cH:33][cH:32][c:31]([S:28]([NH:27][CH:23]([C:22]([O:21][CH3:20])=[O:44])[CH:24]([CH3:25])[CH3:26])(=[O:29])=[O:30])[cH:36][cH:35]3)[cH:42][cH:41]2)[o:4][c:5]2[c:6]1[c:7]([N:11]1[CH2:12][CH2:13][O:14][CH2:15][CH2:16]1)[cH:8][cH:9][cH:10]2