HRID138866

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID12191

2-Butenoic acid, ethyl ester

C6H10O2

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

结构：CC(C)(C)OC(=O)N1CCC(O)(c2ccc(Br)cc2)CC1

HCID18379557

tert-Butyl 4-(4-bromophenyl)-4-hydroxypiperidine-1-carboxylate

C16H22BrNO3

PRODUCTS

生成物

结构：CCOC(=O)C=C(C)c1ccc(C2(O)CCN(C(=O)OC(C)(C)C)CC2)cc1

HCID54284903

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f1ff928fb2304851b16514f8a7eeaf33
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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