HRID1206640

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

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

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID5360545

Sodium

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

HCID68713920

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(NS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3nc4cc(C(F)(F)F)ccc4s3)cc2)cc1)C(=O)OC(C)(C)C

HCID68714732

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e94948a430c8468dbda54c28c9626c75
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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