HRID818606

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

3 次

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID79177

Acetic acid, bromo-, 1,1-dimethylethyl ester

C6H11BrO2

结构：CC(C)(C)OC(=O)CN1C(=O)C(NC(=O)Nc2cccc(C(=O)OCc3ccccc3)c2)CN(C2CCCCC2)c2ccccc21

HCID21201710

未命名化合物

结构：O=C(Nc1cccc(C(=O)OCc2ccccc2)c1)NC1CN(C2CCCCC2)c2ccccc2NC1=O

HCID21201874

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)CN1C(=O)C(NC(=O)Nc2cccc(C(=O)O)c2)CN(C2CCCCC2)c2ccccc21

HCID21201986

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4779ed248c394ceba27753b6aaeb6624
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br-:102].[Br:1][CH2:2][C:3]([O:4][C:5]([CH3:6])([CH3:7])[CH3:8])=[O:9].[C:10]([CH3:11])([CH3:12])([CH3:13])[O:14][C:15](=[O:16])[CH2:17][N:18]1[C:19](=[O:55])[CH:20]([NH:35][C:36](=[O:37])[NH:38][c:39]2[cH:40][c:41]([C:45](=[O:46])[O:47][CH2:48][c:49]3[cH:50][cH:51][cH:52][cH:53][cH:54]3)[cH:42][cH:43][cH:44]2)[CH2:21][N:22]([CH:29]2[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]2)[c:23]2[c:24]1[cH:25][cH:26][cH:27][cH:28]2.[C:58](=[O:59])([O-:60])[O-:61].[CH2:103]([N+:104]([CH2:105][CH2:106][CH2:107][CH3:108])([CH2:109][CH2:110][CH2:111][CH3:112])[CH2:113][CH2:114][CH2:115][CH3:116])[CH2:117][CH2:118][CH3:119].[CH3:120][S:121]([CH3:122])=[O:123].[I-:57].[K+:56].[K+:62].[K+:63].[O:64]=[C:65]1[NH:66][c:67]2[cH:68][cH:69][cH:70][cH:71][c:72]2[N:73]([CH:74]2[CH2:75][CH2:76][CH2:77][CH2:78][CH2:79]2)[CH2:80][CH:81]1[NH:82][C:83]([NH:84][c:85]1[cH:86][cH:87][cH:88][c:89]([C:90]([O:91][CH2:92][c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)=[O:99])[cH:100]1)=[O:101]>>[C:10]([CH3:11])([CH3:12])([CH3:13])[O:14][C:15](=[O:16])[CH2:17][N:18]1[C:19](=[O:55])[CH:20]([NH:35][C:36](=[O:37])[NH:38][c:39]2[cH:40][c:41]([C:45](=[O:46])[OH:47])[cH:42][cH:43][cH:44]2)[CH2:21][N:22]([CH:29]2[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]2)[c:23]2[c:24]1[cH:25][cH:26][cH:27][cH:28]2