HRID200126

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

2 次

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID28179

Fluoride

F-

HCID2734320

4-tert-Butylphenylboronic acid

C10H15BO2

结构：COC(=O)CCCC(=O)c1ccc(C(CCC(C)(C)C)Oc2ccc(-c3ccc(C(C)(C)C)cc3)nc2)cc1

HCID67153586

未命名化合物

结构：COC(=O)CCNC(=O)c1ccc(C(CCC(C)(C)C)Oc2ccc(Cl)nc2)cc1

HCID86615985

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCNC(=O)c1ccc(C(CCC(C)(C)C)Oc2ccc(-c3ccc(C(C)(C)C)cc3)nc2)cc1

HCID67153562

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d773d1287dad4654b84ce68ad735a849
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:31]([CH3:32])([CH3:33])([CH3:34])[c:35]1[cH:36][cH:37][c:38]([B:41]([OH:42])[OH:43])[cH:39][cH:40]1.[CH3:1][O:2][C:3]([CH2:4][CH2:5][NH:6][C:7]([c:8]1[cH:9][cH:10][c:11]([CH:14]([CH2:15][CH2:16][C:17]([CH3:18])([CH3:19])[CH3:20])[O:21][c:22]2[cH:23][n:24][c:25]([Cl:28])[cH:26][cH:27]2)[cH:12][cH:13]1)=[O:29])=[O:30].[CH3:46][O:47][C:48](=[O:49])[CH2:50][CH2:51][CH2:52][C:53]([c:54]1[cH:55][cH:56][c:57]([CH:58]([O:59][c:60]2[cH:61][n:62][c:63](-[c:64]3[cH:65][cH:66][c:67]([C:68]([CH3:69])([CH3:70])[CH3:71])[cH:72][cH:73]3)[cH:74][cH:75]2)[CH2:76][CH2:77][C:78]([CH3:79])([CH3:80])[CH3:81])[cH:82][cH:83]1)=[O:84].[CH3:93][CH2:94][O:95][C:96](=[O:97])[CH3:98].[F-:44].[K+:45].[OH2:85].[OH2:99].[c:86]1([CH3:87])[cH:88][cH:89][cH:90][cH:91][cH:92]1>>[CH3:1][O:2][C:3]([CH2:4][CH2:5][NH:6][C:7]([c:8]1[cH:9][cH:10][c:11]([CH:14]([CH2:15][CH2:16][C:17]([CH3:18])([CH3:19])[CH3:20])[O:21][c:22]2[cH:23][n:24][c:25](-[c:38]3[cH:37][cH:36][c:35]([C:31]([CH3:32])([CH3:33])[CH3:34])[cH:40][cH:39]3)[cH:26][cH:27]2)[cH:12][cH:13]1)=[O:29])=[O:30]