HRID2325114

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID2773987

1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C10H17BN2O2

HCID3280088

未命名化合物

结构：C=CCC1(C)CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)NC1=O

HCID76834838

未命名化合物

HCID178476681

未命名化合物

PRODUCTS

生成物

结构：C=CCC1(C)CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N(c2cnn(C)c2)C1=O

HCID76834762

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-55d842a169cd4b96b3c3bf8afe6c5188
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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