HRID113170

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID6991950

N-methyltetrahydro-2H-pyran-4-amine

C6H13NO

HCID86664314

未命名化合物

PRODUCTS

生成物

结构：CCSc1nc(N(C)C2CCOCC2)cc(C)c1C(=O)NCc1cccc(F)c1

HCID67286945

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-91927e1fd0fa421e9e3dc50dd8bc890c
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

[CH3:23][NH:24][CH:25]1[CH2:26][CH2:27][O:28][CH2:29][CH2:30]1.[CH3:31][N:32]1[CH2:33][CH2:34][CH2:35][C:36]1=[O:37].[CH3:41][CH2:42][O:43][C:44]([CH3:45])=[O:46].[Cl:1][c:2]1[cH:3][c:4]([CH3:22])[c:5]([C:11](=[O:12])[NH:13][CH2:14][c:15]2[cH:16][c:17]([F:21])[cH:18][cH:19][cH:20]2)[c:6]([S:8][CH2:9][CH3:10])[n:7]1.[Na+:39].[OH-:38].[OH2:40]>>[c:2]1([N:24]([CH3:23])[CH:25]2[CH2:26][CH2:27][O:28][CH2:29][CH2:30]2)[cH:3][c:4]([CH3:22])[c:5]([C:11](=[O:12])[NH:13][CH2:14][c:15]2[cH:16][c:17]([F:21])[cH:18][cH:19][cH:20]2)[c:6]([S:8][CH2:9][CH3:10])[n:7]1