HRID183099

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID20330

4-Methylcyclohexanecarboxylic acid

C8H14O2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：C=CC=CC=C(C)c1cc(NC2CCN(Cc3ccc(OC)cc3)C(=O)C2)c(C(=O)OC)s1

HCID86595857

未命名化合物

PRODUCTS

生成物

结构：C=CC=CC=C(C)c1cc(N(C(=O)C2CCC(C)CC2)C2CCN(Cc3ccc(OC)cc3)C(=O)C2)c(C(=O)OC)s1

HCID86595856

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-92e518cea39e4e64a1b709a55f2decb9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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