HRID170903

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

HCID78282

Benzoyl chloride, 3,4,5-trimethoxy-

C10H11ClO4

结构：COc1c(C)c(C)c2c(c1C)CCC(C)(CCN1CCNCC1)O2

HCID13934487

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)N2CCN(CCC3(C)CCc4c(C)c(OC)c(C)c(C)c4O3)CC2)cc(OC)c1OC

HCID20150384

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa448bd5b12d46668e310ad28d8fa99a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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