HRID1130818

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID313

Hydrochloric Acid

ClH

HCID8471

Triethylamine

C6H15N

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID118533

4-Bromo-2-nitroanisole

C7H6BrNO3

结构：c1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1

HCID2734216

2-(Dicyclohexylphosphino)biphenyl

C24H31P

HCID3614551

2-oxa-5-azabicyclo[2.2.1]heptane

C5H9NO

PRODUCTS

生成物

HCID178491931

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-413f2cb2bf634e93a8244601e1a7e216
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([N+:10](=[O:11])[O-:12])[c:5]([O:8][CH3:9])[cH:6][cH:7]1.[C:46](=[O:47])([O-:48])[O-:49].[CH3:52][CH2:53][N:54]([CH2:55][CH3:56])[CH2:57][CH3:58].[CH:14]12[NH:15][CH2:16][CH:17]([O:18][CH2:19]1)[CH2:20]2.[CH:21]1([P:22]([CH:23]2[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]2)[c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2-[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]1.[ClH:13].[Cs+:50].[Cs+:51].[O-:66][C:67]([CH3:68])=[O:69].[O-:70][C:71]([CH3:72])=[O:73].[O:59]1[CH2:60][CH2:61][O:62][CH2:63][CH2:64]1.[Pd+2:65]>>[c:2]1([N:15]2[CH:14]3[CH2:19][O:18][CH:17]([CH2:16]2)[CH2:20]3)[cH:3][c:4]([N+:10](=[O:11])[O-:12])[c:5]([O:8][CH3:9])[cH:6][cH:7]1