HRID180719

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

3 次

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID105144

Palladium(2+)

Pd+2

结构：CC(C)(C)c1ccc(P(c2ccc(C(C)(C)C)cc2C(C)(C)C)c2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1

HCID15860411

Tris(2,4-di-tert-butylphenyl)phosphane

C42H63P

HCID24898521

未命名化合物

HCID53401168

5-(5-Bromo-1,3-thiazol-2-yl)-1-methyl-1H-1,2,4-triazole

C6H5BrN4S

PRODUCTS

生成物

结构：CCCC(CCC)c1cc(C)nc2c(-c3cnc(-c4ncnn4C)s3)c(C)nn12

HCID67428648

2,5-Dimethyl-3-[2-(1-methyl-1H-1,2,4-triazol-5-yl)-5-thiazolyl]-7-(1-propylbutyl)pyrazolo[1,5-a]pyrimidine

C21H27N7S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e4c0659f60434e958f7db2533e5abd57
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

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