HRID700189

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID105144

Palladium(2+)

Pd+2

HCID22558910

(1-Methyl-1H-indazol-5-yl)boronic acid

C8H9BN2O2

结构：COC(=O)CCc1cc(Br)c(OC2Cc3ccccc3C2)c([N+](=O)[O-])c1

HCID22559301

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCc1cc(-c2ccc3c(cnn3C)c2)c(OC2Cc3ccccc3C2)c([N+](=O)[O-])c1

HCID23658575

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b292b423faf4cf5b48a1f28918f5254
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[cH:3][c:4]([CH2:21][CH2:22][C:23](=[O:24])[O:25][CH3:26])[cH:5][c:6]([N+:18](=[O:19])[O-:20])[c:7]1[O:8][CH:9]1[CH2:10][c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]2[CH2:17]1.[C:68]([O-:69])(=[O:70])[CH3:71].[C:73]([O-:74])(=[O:75])[CH3:76].[CH2:83]1[O:84][CH2:85][CH2:86][CH2:87]1.[CH3:27][n:28]1[n:29][cH:30][c:31]2[cH:32][c:33]([B:37]([OH:38])[OH:39])[cH:34][cH:35][c:36]12.[CH3:77][CH2:78][O:79][C:80](=[O:81])[CH3:82].[K+:64].[K+:65].[K+:66].[OH2:67].[P:59]([O-:60])([O-:61])([O-:62])=[O:63].[Pd+2:72].[c:40]1([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[c:2]1(-[c:33]2[cH:32][c:31]3[cH:30][n:29][n:28]([CH3:27])[c:36]3[cH:35][cH:34]2)[cH:3][c:4]([CH2:21][CH2:22][C:23](=[O:24])[O:25][CH3:26])[cH:5][c:6]([N+:18](=[O:19])[O-:20])[c:7]1[O:8][CH:9]1[CH2:10][c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]2[CH2:17]1