HRID125570

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID300977

N-(2-Methoxyethyl)methylamine

C4H11NO

结构：CCOC(=O)C1CCN(c2ncc(C(=O)Nc3nc(-c4cc(Cl)cs4)c(COC(C)=O)s3)cc2Cl)CC1

HCID11227037

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1CCN(c2ncc(C(=O)Nc3nc(-c4cc(Cl)cs4)c(CN(C)CCOC)s3)cc2Cl)CC1

HCID23117187

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-87282386c8594c60a39f4b30630e7dc7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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