HRID2135415

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID130500

未命名化合物

HCID67047000

未命名化合物

HCID90920010

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cc(C(C)NC(=O)C2CC2c2ccc(C(F)(F)F)nc2N2CCCC2)ccc1NS(C)(=O)=O

HCID178468913

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a22108e374a042dc83bb069535c892b8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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