HRID667954

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID31275

1,4-Dioxane

C4H8O2

HCID2773448

4-Hydroxy-2-methylphenylboronic acid

C7H9BO3

HCID53404703

Ethyl 6-bromoquinoline-2-carboxylate

C12H10BrNO2

PRODUCTS

生成物

结构：CCOC(=O)c1ccc2cc(-c3ccc(O)cc3C)ccc2n1

HCID59321478

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1bc852dff9ae4801973ac1fe6a32a8e0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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