HRID2153071

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID70529

1-(2-Fluorophenyl)piperazine

C10H13FN2

HCID81531

Diisopropylethylamine

C8H19N

HCID405802

5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid

C8H6N2O3S

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

PRODUCTS

生成物

结构：Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)sc2nc[nH]c(=O)c12

HCID16003257

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-33c1208c3bc0489b852272ee987e8a4f
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

[CH3:1][c:2]1[c:3]([C:12](=[O:13])[OH:14])[s:4][c:5]2[n:6][cH:7][nH:8][c:9](=[O:11])[c:10]12.[CH3:66][CH2:67][O:68][C:69]([CH3:70])=[O:71].[CH:15]([N:16]([CH2:17][CH3:18])[CH:19]([CH3:20])[CH3:21])([CH3:22])[CH3:23].[F:24][c:25]1[c:26]([N:31]2[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]2)[cH:27][cH:28][cH:29][cH:30]1.[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[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[n:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]1>>[CH3:1][c:2]1[c:3]([C:12](=[O:14])[N:34]2[CH2:33][CH2:32][N:31]([c:26]3[c:25]([F:24])[cH:30][cH:29][cH:28][cH:27]3)[CH2:36][CH2:35]2)[s:4][c:5]2[n:6][cH:7][nH:8][c:9](=[O:11])[c:10]12