HRID89294

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID15373214

N-Fluorobenzenesulfonamide

C6H6FNO2S

结构：CCC(CC)c1cc(C)nn2c(-c3sc(-c4ncnn4C)cc3Cl)c(C)nc12

HCID57933044

未命名化合物

HCID178418306

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)c1cc(C)nn2c(-c3sc(-c4nc(F)nn4C)cc3Cl)c(C)nc12

HCID57932914

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dccc537b9cf748ac931950a9f436adf5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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