HRID1230333

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID712

Formaldehyde

CH2O

HCID962

Water

H2O

HCID6386

tert-Butyl alcohol

C4H10O

HCID8471

Triethylamine

C6H15N

HCID31275

1,4-Dioxane

C4H8O2

HCID105144

Palladium(2+)

Pd+2

结构：O=C(C=C(c1cc(Cl)cc(Cl)c1)C(F)(F)F)c1ccc(Br)cc1

HCID86626427

未命名化合物

PRODUCTS

生成物

结构：O=C(O)c1ccc(C(=O)C=C(c2cc(Cl)cc(Cl)c2)C(F)(F)F)cc1

HCID66735658

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-86a5750b238642e3b9edbc1fe61f843e
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

[Br:1][c:2]1[cH:3][cH:4][c:5]([C:8]([CH:9]=[C:10]([C:11]([F:12])([F:13])[F:14])[c:15]2[cH:16][c:17]([Cl:22])[cH:18][c:19]([Cl:21])[cH:20]2)=[O:23])[cH:6][cH:7]1.[C:32]=[O:33].[C:34]([CH3:35])([CH3:36])([CH3:37])[OH:38].[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[O-:46][C:47]([CH3:48])=[O:49].[O-:50][C:51]([CH3:52])=[O:53].[O:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1.[OH2:31].[Pd+2:45]>>[c:2]1([C:34](=[O:31])[OH:38])[cH:3][cH:4][c:5]([C:8]([CH:9]=[C:10]([C:11]([F:12])([F:13])[F:14])[c:15]2[cH:16][c:17]([Cl:22])[cH:18][c:19]([Cl:21])[cH:20]2)=[O:23])[cH:6][cH:7]1