HRID1113531

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID3826051

未命名化合物

结构：CCC(CC)Oc1cc(C)c(-c2ccc(OC(F)(F)F)cc2OC)nc1Cl

HCID21104777

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)Oc1cc(C)c(-c2ccc(OC(F)(F)F)cc2OC)nc1OC

HCID21104796

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f2ad30562af642a49d9650981c69d021
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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