HRID163111

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

结构：c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

HCID81219

Phosphine, 1,3-propanediylbis[diphenyl-

C27H26P2

HCID105144

Palladium(2+)

Pd+2

结构：CC(C)(O)Cn1ncc2cc(Oc3ccc(F)cc3F)c(Br)cc21

HCID67416478

未命名化合物

PRODUCTS

生成物

结构：CC(C)(O)Cn1ncc2cc(Oc3ccc(F)cc3F)c(C(=O)O)cc21

HCID67417664

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ba48f1ac92943f28d6c765413cc3643
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[c:3]([O:16][c:17]2[c:18]([F:24])[cH:19][c:20]([F:23])[cH:21][cH:22]2)[cH:4][c:5]2[cH:6][n:7][n:8]([CH2:11][C:12]([CH3:13])([OH:14])[CH3:15])[c:9]2[cH:10]1.[C:54]([O-:55])([O-:56])=[O:57].[CH3:70][OH:71].[K+:58].[K+:59].[O-:61][C:62]([CH3:63])=[O:64].[O-:65][C:66]([CH3:67])=[O:68].[OH2:69].[Pd+2:60].[c:25]1([P:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[CH2:33][CH2:34][CH2:35][P:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[c:2]1([C:54](=[O:55])[OH:56])[c:3]([O:16][c:17]2[c:18]([F:24])[cH:19][c:20]([F:23])[cH:21][cH:22]2)[cH:4][c:5]2[cH:6][n:7][n:8]([CH2:11][C:12]([CH3:13])([OH:14])[CH3:15])[c:9]2[cH:10]1