HRID112579

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID8028

Tetrahydrofuran

C4H8O

HCID84648

Butanoic acid, 4-chloro-4-oxo-, ethyl ester

C6H9ClO3

HCID4574913

未命名化合物

结构：Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F

HCID5330790

JNJ-7706621

C15H12F2N6O3S

PRODUCTS

生成物

结构：CCOC(=O)CCC(=O)NS(=O)(=O)c1ccc(Nc2nc(N)n(C(=O)c3c(F)cccc3F)n2)cc1

HCID11569937

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-979f5e6aa948403c91f628836da218dd
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

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