HRID206451

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID7622

Tributylamine

C12H27N

HCID12191

2-Butenoic acid, ethyl ester

C6H10O2

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

HCID7018300

N-Boc-2-bromobenzylamine

C12H16BrNO2

PRODUCTS

生成物

结构：CCOC(=O)C=C(C)c1ccccc1CNC(=O)OC(C)(C)C

HCID69219191

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c76d2b8b339407e9bada3592076ee5d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[NH:8][CH2:9][c:10]1[c:11]([Br:16])[cH:12][cH:13][cH:14][cH:15]1.[C:60]([O-:61])(=[O:62])[CH3:63].[C:65]([O-:66])(=[O:67])[CH3:68].[CH2:52]([CH3:53])[O:54][C:55]([CH:56]=[CH:57][CH3:58])=[O:59].[CH3:17][CH2:18][CH2:19][CH2:20][N:21]([CH2:22][CH2:23][CH2:24][CH3:25])[CH2:26][CH2:27][CH2:28][CH3:29].[Pd+2:64].[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])[NH:8][CH2:9][c:10]1[c:11]([C:57](=[CH:56][C:55]([O:54][CH2:52][CH3:53])=[O:59])[CH3:58])[cH:12][cH:13][cH:14][cH:15]1