HRID1207277

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID795707

1-Methyl-4-(piperidin-4-yl)piperazine

C10H21N3

HCID4574913

未命名化合物

结构：C=C(C)c1cc(C(=O)N2Cc3ccc(Br)cc3C2)c(OCc2ccccc2)cc1OCc1ccccc1

HCID46915776

未命名化合物

PRODUCTS

生成物

结构：C=C(C)c1cc(C(=O)N2Cc3ccc(N4CCC(N5CCN(C)CC5)CC4)cc3C2)c(OCc2ccccc2)cc1OCc1ccccc1

HCID66672450

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aaf83d2b4d034ac7b0678542b297165f
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

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