HRID2345168

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID795715

4-Methyl-1,4'-bipiperidine

C11H22N2

结构：Cc1ccc(C(=O)NC(C)C)cc1-c1nc(S(C)=O)nc2c1CNC(=O)N2c1c(F)cccc1F

HCID11950820

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)NC(C)C)cc1-c1nc(N2CCC(N3CCC(C)CC3)CC2)nc2c1CNC(=O)N2c1c(F)cccc1F

HCID59208137

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-92cd701150bb4f9baceeb29c0bba7b99
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

[CH2:58]1[O:59][CH2:60][CH2:61][CH2:62]1.[CH3:36][CH:37]1[CH2:38][CH2:39][N:40]([CH:43]2[CH2:44][CH2:45][NH:46][CH2:47][CH2:48]2)[CH2:41][CH2:42]1.[CH:49]([N:50]([CH2:51][CH3:52])[CH:53]([CH3:54])[CH3:55])([CH3:56])[CH3:57].[F:1][c:2]1[c:3]([N:9]2[C:10](=[O:35])[NH:11][CH2:12][c:13]3[c:14]2[n:15][c:16]([S:32]([CH3:33])=[O:34])[n:17][c:18]3-[c:19]2[cH:20][c:21]([C:22](=[O:23])[NH:24][CH:25]([CH3:26])[CH3:27])[cH:28][cH:29][c:30]2[CH3:31])[c:4]([F:8])[cH:5][cH:6][cH:7]1>>[F:1][c:2]1[c:3]([N:9]2[C:10](=[O:35])[NH:11][CH2:12][c:13]3[c:14]2[n:15][c:16]([N:46]2[CH2:45][CH2:44][CH:43]([N:40]4[CH2:39][CH2:38][CH:37]([CH3:36])[CH2:42][CH2:41]4)[CH2:48][CH2:47]2)[n:17][c:18]3-[c:19]2[cH:20][c:21]([C:22](=[O:23])[NH:24][CH:25]([CH3:26])[CH3:27])[cH:28][cH:29][c:30]2[CH3:31])[c:4]([F:8])[cH:5][cH:6][cH:7]1