HRID2133768

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID30165

Iodide ion

I-

HCID81531

Diisopropylethylamine

C8H19N

结构：O=C(Nc1ccc(Sc2nc(Cl)cc(Cl)n2)cc1)c1c(F)cccc1F

HCID59420827

未命名化合物

HCID178418690

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Nc2cc(Cl)nc(Sc3ccc(NC(=O)c4c(F)cccc4F)cc3)n2)[nH]n1

HCID178428226

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c2e4d27ffa5e416c91a506dfadebdcd6
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

[CH3:27][c:28]1[cH:29][c:30]([NH2:33])[nH:31][n:32]1.[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[CH:36]([N:37]([CH:38]([CH3:39])[CH3:40])[CH2:41][CH3:42])([CH3:43])[CH3:44].[F:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][c:7]2[cH:8][cH:9][c:10]([S:13][c:14]3[n:15][c:16]([Cl:21])[cH:17][c:18]([Cl:20])[n:19]3)[cH:11][cH:12]2)[c:22]([F:26])[cH:23][cH:24][cH:25]1.[I-:35].[Na+:34]>>[F:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][c:7]2[cH:8][cH:9][c:10]([S:13][c:14]3[n:15][c:16]([Cl:21])[cH:17][c:18]([NH:33][c:30]4[cH:29][c:28]([CH3:27])[n:32][nH:31]4)[n:19]3)[cH:11][cH:12]2)[c:22]([F:26])[cH:23][cH:24][cH:25]1