HRID1206233

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6228

Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID7854

Propionitrile

C3H5N

HCID81531

Diisopropylethylamine

C8H19N

HCID105144

Palladium(2+)

Pd+2

HCID57742103

未命名化合物

HCID91244832

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1c(CN(C)C(=O)C=Cc2cnc3c(c2)CN2CCCC2C(=O)N3)oc2ccccc12

HCID178428530

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-5c49d103b54b4b2f8082735c52880e65
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

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