HRID1551657

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7854

Propionitrile

C3H5N

HCID8857

Ethyl acetate

C4H8O2

HCID105144

Palladium(2+)

Pd+2

HCID57742103

未命名化合物

HCID59332832

未命名化合物

PRODUCTS

生成物

结构：Cc1c(CN(C)C(=O)C=Cc2cnc3c(c2)CN(C(=O)OC(C)(C)C)CCN3)oc2ccccc12

HCID68412933

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a65ae3246e941c1aee68a5d97e8833f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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