HRID1239359

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

HCID57362848

未命名化合物

HCID58494086

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

C11H10BrClN2OS

HCID178420554

未命名化合物

PRODUCTS

产物

HCID66981706

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-9f541b680b824873ad205478b4dea9cd
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:1][c:2]1[n:3][s:4][c:5](-[c:7]2[cH:8][c:9]([Cl:17])[c:10]([O:13][CH:14]([CH3:15])[CH3:16])[cH:11][cH:12]2)[n:6]1.[CH3:18][C:19]1([CH3:20])[C:21]([CH3:22])([CH3:23])[O:24][B:25]([c:26]2[c:27]([CH3:36])[c:28]([CH:32]=[CH:33][O:34][CH3:35])[cH:29][cH:30][cH:31]2)[O:37]1.[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[K+:43].[K+:44].[K+:45].[OH2:128].[P:38]([O-:39])([O-:40])([O-:41])=[O:42].[cH:51]1[cH:52][cH:53][c:54]([P:55]([Pd:56]([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[P:95]([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)([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)[cH:126][cH:127]1>>[c:2]1(-[c:26]2[c:27]([CH3:36])[c:28]([CH:32]=[CH:33][O:34][CH3:35])[cH:29][cH:30][cH:31]2)[n:3][s:4][c:5](-[c:7]2[cH:8][c:9]([Cl:17])[c:10]([O:13][CH:14]([CH3:15])[CH3:16])[cH:11][cH:12]2)[n:6]1