HRID1216351

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID7854

Propionitrile

C3H5N

HCID81531

Diisopropylethylamine

C8H19N

HCID105144

Palladium(2+)

Pd+2

HCID57742103

未命名化合物

HCID59277579

未命名化合物

PRODUCTS

生成物

结构：Cc1c(CN(C)C(=O)C=Cc2cnc3c(c2)OC(C)(C)CN3)oc2ccccc12

HCID66966693

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-059fef7dc0f14e378f1ae759cd276e63
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][c:30]2[c:35]([n:36][cH:37]1)[NH:34][CH2:33][C:32]([CH3:38])([CH3:39])[O:31]2.[C:45](#[N:46])[CH2:47][CH3:48].[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.[CH3:43][OH:44].[CH:18]([N:19]([CH:20]([CH3:21])[CH3:22])[CH2:23][CH3:24])([CH3:25])[CH3:26].[Cl:40][CH2:41][Cl:42].[O-:56][C:57]([CH3:58])=[O:59].[O-:60][C:61]([CH3:62])=[O:63].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[OH2:54].[Pd+2:55]>>[CH3:1][N:2]([C:3]([CH:4]=[CH:5][c:28]1[cH:29][c:30]2[c:35]([n:36][cH:37]1)[NH:34][CH2:33][C:32]([CH3:38])([CH3:39])[O:31]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