HRID800240

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID11745

Ethyl 2-bromoisobutyrate

C6H11BrO2

HCID31374

Dimethylacetamide

C4H9NO

结构：CC(c1ccc(O)cc1Cl)C(O)(c1ccc2oc(=O)n(C)c2c1)C(F)(F)F

HCID66696986

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)Oc1ccc(C(C)C(O)(c2ccc3oc(=O)n(C)c3c2)C(F)(F)F)c(Cl)c1

HCID66697058

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a4ca61b9a3c14618b0acae40650be606
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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