HRID1123684

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

HCID17039982

Ethyl 6-bromo-2-methylquinoline-3-carboxylate

C13H12BrNO2

结构：CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

HCID59709039

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cc2cc(-c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C(C)C)cc3)ccc2nc1C

HCID59321567

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aca518de715542d3a683b7e5a4df9a9c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[cH:5][c:6]([C:13](=[O:14])[O:15][CH2:16][CH3:17])[c:7]([CH3:12])[n:8][c:9]2[cH:10][cH:11]1.[CH3:78][CH2:79][O:80][C:81](=[O:82])[CH3:83].[Cl:18][c:19]1[c:20](-[c:26]2[n:27][o:28][c:29]([CH:48]([CH3:49])[CH3:50])[c:30]2[CH2:31][O:32][c:33]2[cH:34][cH:35][c:36]([B:39]3[O:40][C:41]([CH3:42])([CH3:43])[C:44]([CH3:45])([CH3:46])[O:47]3)[cH:37][cH:38]2)[c:21]([Cl:25])[cH:22][cH:23][cH:24]1.[K+:75].[K+:76].[K+:77].[O:85]1[CH2:86][CH2:87][O:88][CH2:89][CH2:90]1.[OH2:84].[P:70]([O-:71])([O-:72])([O-:73])=[O:74].[c:51]1([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[cH:65][cH:66][cH:67][cH:68][cH:69]1>>[c:2]1(-[c:36]2[cH:35][cH:34][c:33]([O:32][CH2:31][c:30]3[c:26](-[c:20]4[c:19]([Cl:18])[cH:24][cH:23][cH:22][c:21]4[Cl:25])[n:27][o:28][c:29]3[CH:48]([CH3:49])[CH3:50])[cH:38][cH:37]2)[cH:3][c:4]2[cH:5][c:6]([C:13](=[O:14])[O:15][CH2:16][CH3:17])[c:7]([CH3:12])[n:8][c:9]2[cH:10][cH:11]1