HRID1209909

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric Acid

C6H8O7

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID28486

Lithium ion

Li+

HCID31275

1,4-Dioxane

C4H8O2

结构：CCOC(=O)CC1CCCn2c1cc1cc(OCc3ccc(OC(C)C)c(C(F)(F)F)c3)ccc12

HCID67248678

未命名化合物

PRODUCTS

生成物

结构：CC(C)Oc1ccc(COc2ccc3c(c2)cc2n3CCCC2CC(=O)O)cc1C(F)(F)F

HCID58329615

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-949f6ab6cb204bbcb905b3d98e408936
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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