HRID287312

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6344

Dichloromethane

CH2Cl2

HCID7413

Cyclohexanecarboxylic acid

C7H12O2

HCID81531

Diisopropylethylamine

C8H19N

结构：Cn1c(=O)c(CNCC(c2ccccc2)C2CCN(C(=O)OC(C)(C)C)CC2)cc2ccccc21

HCID58415941

未命名化合物

PRODUCTS

生成物

结构：Cn1c(=O)c(CN(CC(c2ccccc2)C2CCN(C(=O)OC(C)(C)C)CC2)C(=O)C2CCCCC2)cc2ccccc21

HCID58415912

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0575777b8a964a3588a906710b0b1d4c
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

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