HRID307602

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID21109

Trimetazidine

C14H22N2O3

结构：COc1c(C)c(C)c2c(c1C)CCC(C)(CC(=O)Cl)O2

HCID20150413

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN2CCN(C(=O)CC3(C)CCc4c(C)c(OC)c(C)c(C)c4O3)CC2)c(OC)c1OC

HCID20150379

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-074f7a201c6f4c2c9d3824a93de78a7d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:1][O:2][c:3]1[c:4]([CH2:13][N:14]2[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]2)[cH:5][cH:6][c:7]([O:11][CH3:12])[c:8]1[O:9][CH3:10].[CH3:30][O:31][c:32]1[c:33]([CH3:49])[c:34]([CH3:48])[c:35]2[c:36]([c:46]1[CH3:47])[CH2:37][CH2:38][C:39]([CH3:41])([CH2:42][C:43](=[O:44])[Cl:45])[O:40]2.[Cl:26][CH2:27][CH2:28][Cl:29].[OH2:50].[cH:20]1[cH:21][cH:22][n:23][cH:24][cH:25]1>>[CH3:1][O:2][c:3]1[c:4]([CH2:13][N:14]2[CH2:15][CH2:16][N:17]([C:43]([CH2:42][C:39]3([CH3:41])[CH2:38][CH2:37][c:36]4[c:35]([c:34]([CH3:48])[c:33]([CH3:49])[c:32]([O:31][CH3:30])[c:46]4[CH3:47])[O:40]3)=[O:44])[CH2:18][CH2:19]2)[cH:5][cH:6][c:7]([O:11][CH3:12])[c:8]1[O:9][CH3:10]