HRID1238695

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

HCID6228

Dimethylformamide

C3H7NO

HCID8857

Ethyl Acetate

C4H8O2

HCID58494086

3-Bromo-5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-thiadiazole

C11H10BrClN2OS

HCID58494099

未命名化合物

HCID178420554

未命名化合物

PRODUCTS

产物

HCID58494103

Ethyl 3-(4-{[3-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-thiadiazol-3-yl)-2-ethylphenyl]methyl}-1-piperidinyl)propanoate

C30H38ClN3O3S

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-dacc042569984267928b94b132dfc60d
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:32][c:33]1[n:34][s:35][c:36](-[c:38]2[cH:39][c:40]([Cl:48])[c:41]([O:44][CH:45]([CH3:46])[CH3:47])[cH:42][cH:43]2)[n:37]1.[CH2:1]([CH3:2])[c:3]1[c:4]([CH2:18][CH:19]2[CH2:20][CH2:21][N:22]([CH2:25][CH2:26][C:27](=[O:28])[O:29][CH2:30][CH3:31])[CH2:23][CH2:24]2)[cH:5][cH:6][cH:7][c:8]1[B:9]1[O:10][C:11]([CH3:12])([CH3:13])[C:14]([CH3:15])([CH3:16])[O:17]1.[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[CH3:63][CH2:64][O:65][C:66](=[O:67])[CH3:68].[K+:54].[K+:55].[K+:56].[OH2:62].[P:49]([O-:50])([O-:51])([O-:52])=[O:53].[cH:69]1[cH:70][cH:71][c:72]([P:73]([Pd:74]([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([P:94]([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[P:113]([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)([c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)([c:132]2[cH:133][cH:134][cH:135][cH:136][cH:137]2)[c:138]2[cH:139][cH:140][cH:141][cH:142][cH:143]2)[cH:144][cH:145]1>>[CH2:1]([CH3:2])[c:3]1[c:4]([CH2:18][CH:19]2[CH2:20][CH2:21][N:22]([CH2:25][CH2:26][C:27](=[O:28])[O:29][CH2:30][CH3:31])[CH2:23][CH2:24]2)[cH:5][cH:6][cH:7][c:8]1-[c:33]1[n:34][s:35][c:36](-[c:38]2[cH:39][c:40]([Cl:48])[c:41]([O:44][CH:45]([CH3:46])[CH3:47])[cH:42][cH:43]2)[n:37]1