HRID682263

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

HCID6342

Acetonitrile

C2H3N

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

反应SMILES：CC1(C)OB(c2cccc3[nH]ncc23)OC1(C)C

HCID45480186

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole

C13H17BN2O2

反应SMILES：CC(C)(O)c1cc2nc(Cl)nc(N3CCOCC3)c2o1

HCID59593058

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(O)c1cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2o1

HCID24970006

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7c7b63d6275943eaa9247c1e95c4c5a4
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

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