HRID1124622

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

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID105144

Palladium(2+)

Pd+2

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

HCID2734216

2-(Dicyclohexylphosphino)biphenyl

C24H31P

HCID44119555

(4,4-Dimethylcyclohex-1-en-1-yl)boronic acid

C8H15BO2

HCID59771274

未命名化合物

PRODUCTS

生成物

结构：CC1(C)CC=C(c2cc(C3CC(=O)NC(=O)C3)ccc2N)CC1

HCID59771292

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4437fc03e03c4cfa956afdb36b195ba7
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

[CH3:25][C:26]1([CH3:35])[CH2:27][CH:28]=[C:29]([B:32]([OH:33])[OH:34])[CH2:30][CH2:31]1.[CH3:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[CH3:74][CH2:75][O:76][C:77]([CH3:78])=[O:79].[CH:36]1([P:37]([CH:38]2[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]2-[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60]1.[K+:22].[K+:23].[K+:24].[NH2:1][c:2]1[c:3]([Br:16])[cH:4][c:5]([CH:8]2[CH2:9][C:10](=[O:15])[NH:11][C:12](=[O:14])[CH2:13]2)[cH:6][cH:7]1.[O-:81][C:82]([CH3:83])=[O:84].[O-:85][C:86]([CH3:87])=[O:88].[O:68]1[CH2:69][CH2:70][O:71][CH2:72][CH2:73]1.[P:17]([O-:18])([O-:19])([O-:20])=[O:21].[Pd+2:80]>>[NH2:1][c:2]1[c:3]([C:29]2=[CH:28][CH2:27][C:26]([CH3:25])([CH3:35])[CH2:31][CH2:30]2)[cH:4][c:5]([CH:8]2[CH2:9][C:10](=[O:15])[NH:11][C:12](=[O:14])[CH2:13]2)[cH:6][cH:7]1