HRID190062

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：O=C(O)c1cc2cc(Oc3ccc(C(F)(F)F)cc3)ccc2cn1

HCID68868239

未命名化合物

结构：COC(=O)C(N)Cc1ccc(-c2ccc(F)c(Cl)c2)cc1

HCID68869259

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccc(-c2ccc(F)c(Cl)c2)cc1)NC(=O)c1cc2cc(Oc3ccc(C(F)(F)F)cc3)ccc2cn1

HCID178499753

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7d21d058b85e42e6a1f5bf251b52eef4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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