HRID86748

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+

HCID68711209

未命名化合物

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

HCID68711776

未命名化合物

PRODUCTS

生成物

结构：Cc1c(C(=O)Nc2ccc(-c3ccc(S(=O)(=O)NC(C(=O)OC(C)(C)C)C(C)C)cc3)cc2)oc2ccc(Cl)c(OC(C)C)c12

HCID68715592

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-49e61f6cd267475281557c1d351e897c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:19]([CH3:20])([CH3:21])([CH3:22])[O:23][C:24]([CH:25]([CH:26]([CH3:27])[CH3:28])[NH:29][S:30](=[O:31])(=[O:32])[c:33]1[cH:34][cH:35][c:36](-[c:39]2[cH:40][cH:41][c:42]([NH2:45])[cH:43][cH:44]2)[cH:37][cH:38]1)=[O:46].[CH:74]([N:75]([CH2:76][CH3:77])[CH:78]([CH3:79])[CH3:80])([CH3:81])[CH3:82].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([c:7]([CH3:13])[c:8]([C:10](=[O:11])[OH:12])[o:9]2)[c:14]1[O:15][CH:16]([CH3:17])[CH3:18].[O:83]=[CH:84][N:85]([CH3:86])[CH3:87].[P-:47]([F:48])([F:49])([F:50])([F:51])([F:52])[F:53].[n:54]1([O:55][P+:56]([N:57]([CH3:58])[CH3:59])([N:60]([CH3:61])[CH3:62])[N:63]([CH3:64])[CH3:65])[c:66]2[cH:67][cH:68][cH:69][cH:70][c:71]2[n:72][n:73]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([c:7]([CH3:13])[c:8]([C:10](=[O:12])[NH:45][c:42]3[cH:41][cH:40][c:39](-[c:36]4[cH:35][cH:34][c:33]([S:30]([NH:29][CH:25]([C:24]([O:23][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:46])[CH:26]([CH3:27])[CH3:28])(=[O:31])=[O:32])[cH:38][cH:37]4)[cH:44][cH:43]3)[o:9]2)[c:14]1[O:15][CH:16]([CH3:17])[CH3:18]