HRID2340078

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID923

Sodium ion

Na+

HCID6422

未命名化合物

HCID30165

Iodide ion

I-

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1nc(C)n(-c2ccc(Nc3n[nH]c(C(CCCCCl)c4ccc(OCC(F)F)cc4)n3)cc2F)n1

HCID86649932

未命名化合物

PRODUCTS

生成物

HCID6422

未命名化合物

结构：Cc1nc(C)n(-c2ccc(Nc3nc4n(n3)CCCCC4c3ccc(OCC(F)F)cc3)cc2F)n1

HCID58110147

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dd4a6444b4574352948e848581bbe8d5
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

[CH3:56][C:57](=[O:58])[CH3:59].[CH:40]([N:41]([CH:42]([CH3:43])[CH3:44])[CH2:45][CH3:46])([CH3:47])[CH3:48].[Cl:1][CH2:2][CH2:3][CH2:4][CH2:5][CH:6]([c:7]1[cH:8][cH:9][c:10]([O:13][CH2:14][CH:15]([F:16])[F:17])[cH:11][cH:12]1)[c:18]1[n:19][c:20]([NH:23][c:24]2[cH:25][c:26]([F:37])[c:27](-[n:30]3[n:31][c:32]([CH3:36])[n:33][c:34]3[CH3:35])[cH:28][cH:29]2)[n:21][nH:22]1.[F:49][C:50]([C:51](=[O:52])[OH:53])([F:54])[F:55].[I-:39].[Na+:38]>>[CH2:2]1[CH2:3][CH2:4][CH2:5][CH:6]([c:7]2[cH:8][cH:9][c:10]([O:13][CH2:14][CH:15]([F:16])[F:17])[cH:11][cH:12]2)[c:18]2[n:19][c:20]([NH:23][c:24]3[cH:25][c:26]([F:37])[c:27](-[n:30]4[n:31][c:32]([CH3:36])[n:33][c:34]4[CH3:35])[cH:28][cH:29]3)[n:21][n:22]21.[F:49][C:50]([C:51](=[O:52])[OH:53])([F:54])[F:55]