HRID215155

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

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID105144

Palladium(2+)

Pd+2

HCID11558369

B-[3-[[(Heptylamino)carbonyl]methylamino]phenyl]boronic acid

C15H25BN2O3

HCID68430459

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCNC(=O)N(C)c1cccc(-c2ccc(C=C(OC)C(=O)OC)cc2OCCCC)c1

HCID72330334

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b949c05043344438fc04b4fc3da32ec
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

[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][c:6]1[cH:7][c:8]([CH:13]=[C:14]([C:15](=[O:16])[O:17][CH3:18])[O:19][CH3:20])[cH:9][cH:10][c:11]1[I:12].[CH2:21]([CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH3:27])[NH:28][C:29]([N:30]([CH3:31])[c:32]1[cH:33][c:34]([B:38]([OH:39])[OH:40])[cH:35][cH:36][cH:37]1)=[O:41].[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[CH3:65][CH2:66][O:67][C:68](=[O:69])[CH3:70].[K+:47].[K+:48].[K+:49].[O-:57][C:58]([CH3:59])=[O:60].[O-:61][C:62]([CH3:63])=[O:64].[OH2:50].[P:42]([O-:43])([O-:44])([O-:45])=[O:46].[Pd+2:56]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][c:6]1[cH:7][c:8]([CH:13]=[C:14]([C:15](=[O:16])[O:17][CH3:18])[O:19][CH3:20])[cH:9][cH:10][c:11]1-[c:34]1[cH:33][c:32]([N:30]([C:29]([NH:28][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH3:27])=[O:41])[CH3:31])[cH:37][cH:36][cH:35]1