HRID683398

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

HCID58494086

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

C11H10BrClN2OS

HCID66981777

未命名化合物

HCID178420554

未命名化合物

PRODUCTS

产物

HCID66981735

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-5c9112cbed39461c9d3954b0e72a2b90
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

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.[CH2:18]([CH3:19])[c:20]1[c:21]([B:30]2[O:31][C:32]([CH3:33])([CH3:34])[C:35]([CH3:36])([CH3:37])[O:38]2)[cH:22][cH:23][cH:24][c:25]1[CH:26]=[CH:27][O:28][CH3:29].[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[K+:44].[K+:45].[K+:46].[OH2:52].[P:39]([O-:40])([O-:41])([O-:42])=[O:43].[cH:53]1[cH:54][cH:55][c:56]([P:57]([Pd:58]([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[P:97]([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[cH:128][cH:129]1>>[c:2]1(-[c:21]2[c:20]([CH2:18][CH3:19])[c:25]([CH:26]=[CH:27][O:28][CH3:29])[cH:24][cH:23][cH:22]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