HRID2342479

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID78288

Glycine, N-[(1,1-dimethylethoxy)carbonyl]-

C7H13NO4

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：Cn1ncc2c1Nc1cc(Cl)ccc1N(C(=O)c1ccc(CN)c(F)c1)C2

HCID136128347

未命名化合物

PRODUCTS

生成物

结构：Cn1ncc2c1Nc1cc(Cl)ccc1N(C(=O)c1ccc(CNC(=O)CNC(=O)OC(C)(C)C)c(F)c1)C2

HCID136128360

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-25cf1dfad6064fd785e1ee85fab07778
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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