HRID666609

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID2762757

ethyl 2-bromo-2-cyclohexylacetate

C10H17BrO2

HCID60980536

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21

HCID66619480

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a0bd5706e3b64f1d966e34aae9ce1dfb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:37](=[O:38])([O-:39])[O-:40].[CH2:24]([CH3:25])[O:26][C:27]([CH:28]([CH:29]1[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]1)[Br:35])=[O:36].[CH3:19][N:20]([CH3:21])[CH:22]=[O:23].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]3[c:11]([nH:12]2)[cH:13][c:14]([F:18])[c:15]([F:17])[cH:16]3)[cH:6][cH:7]1.[Cs+:41].[Cs+:42].[OH2:49]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]3[c:11]([n:12]2[CH:28]([C:27]([O:26][CH2:24][CH3:25])=[O:36])[CH:29]2[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]2)[cH:13][c:14]([F:18])[c:15]([F:17])[cH:16]3)[cH:6][cH:7]1