HRID1236199

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

3 次

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

HCID105144

Palladium(2+)

Pd+2

HCID18541710

未命名化合物

HCID69314671

未命名化合物

PRODUCTS

生成物

结构：O=C1CCc2cc(-c3cc(CO)oc3-c3ccncc3)ccc21

HCID69317235

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-91731328e06f4f689069557dd02dc49a
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][c:4]([CH2:13][OH:14])[o:5][c:6]1-[c:7]1[cH:8][cH:9][n:10][cH:11][cH:12]1.[CH3:15][C:16]1([CH3:17])[C:18]([CH3:19])([CH3:20])[O:21][B:22]([c:23]2[cH:24][c:25]3[c:29]([cH:30][cH:31]2)[C:28](=[O:32])[CH2:27][CH2:26]3)[O:33]1.[CH3:35][C:36](=[O:37])[O-:38].[CH3:67][N:68]([CH3:69])[CH:70]=[O:71].[CH3:73][CH2:74][OH:75].[K+:34].[O-:59][C:60]([CH3:61])=[O:62].[O-:63][C:64]([CH3:65])=[O:66].[OH2:72].[Pd+2:58].[c:39]1([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[cH:53][cH:54][cH:55][cH:56][cH:57]1>>[c:2]1(-[c:23]2[cH:24][c:25]3[c:29]([cH:30][cH:31]2)[C:28](=[O:32])[CH2:27][CH2:26]3)[cH:3][c:4]([CH2:13][OH:14])[o:5][c:6]1-[c:7]1[cH:8][cH:9][n:10][cH:11][cH:12]1