HRID2331499

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID19660

Carbonate

CO3-2

HCID70700

Dipivaloylmethane

C11H20O2

HCID70719

2-Methylpyridin-3-ol

C6H7NO

HCID104967

Cesium(1+)

Cs+

2 次

结构：O=C1C(n2cc(-c3ccc(Br)cc3)nn2)CCc2c(F)cccc2N1CC(F)(F)F

HCID58063506

未命名化合物

PRODUCTS

生成物

结构：Cc1ncccc1Oc1ccc(-c2cn(C3CCc4c(F)cccc4N(CC(F)(F)F)C3=O)nn2)cc1

HCID46841726

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4dd87552849a4f3ba6045a61cf89612a
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

[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10][n:11]([CH:13]3[C:14](=[O:30])[N:15]([CH2:25][C:26]([F:27])([F:28])[F:29])[c:16]4[c:17]([c:20]([F:24])[cH:21][cH:22][cH:23]4)[CH2:18][CH2:19]3)[cH:12]2)[cH:6][cH:7]1.[C:31](=[O:32])([O-:33])[O-:34].[CH3:46][C:47]([CH3:48])([C:49](=[O:50])[CH2:51][C:52](=[O:53])[C:54]([CH3:55])([CH3:56])[CH3:57])[CH3:58].[CH3:59][N:60]1[CH2:61][CH2:62][CH2:63][C:64]1=[O:65].[CH3:66][CH2:67][O:68][C:69]([CH3:70])=[O:71].[Cl-:45].[Cs+:35].[Cs+:36].[OH2:72].[OH:37][c:38]1[c:39]([CH3:44])[n:40][cH:41][cH:42][cH:43]1>>[c:2]1([O:37][c:38]2[c:39]([CH3:44])[n:40][cH:41][cH:42][cH:43]2)[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10][n:11]([CH:13]3[C:14](=[O:30])[N:15]([CH2:25][C:26]([F:27])([F:28])[F:29])[c:16]4[c:17]([c:20]([F:24])[cH:21][cH:22][cH:23]4)[CH2:18][CH2:19]3)[cH:12]2)[cH:6][cH:7]1