HRID318082

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID244

Benzyl alcohol

C7H8O

HCID712

Formaldehyde

CH2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID105144

Palladium(2+)

Pd+2

结构：CN(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)C(=O)CCCCCNc1ncc(Br)cn1

HCID66671587

未命名化合物

PRODUCTS

生成物

结构：CN(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)C(=O)CCCCCNc1ncc(C(=O)OCc2ccccc2)cn1

HCID66671726

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-212627be78434c66a9cd47ae97e11ce9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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