HRID181500

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-

HCID67430

4-Chlorophenethylamine

C8H10ClN

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：COC(=O)C1CCOc2cc(Oc3ccc(C(=O)O)cc3C)c(C#N)cc21

HCID67080703

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1CCOc2cc(Oc3ccc(C(=O)NCCc4ccc(Cl)cc4)cc3C)c(C#N)cc21

HCID67080595

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-63aaa3882399451cba219a735eb9e323
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

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