HRID669830

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6395

Methanesulfonic acid

CH4O3S

HCID8857

Ethyl acetate

C4H8O2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID23584129

未命名化合物

HCID59016016

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)Oc1ccc(CCCC(=O)NN(Cc2cccc(OC)c2)C(N)=O)cc1

HCID59015846

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3a6d6aa704a4f93ba26a98a4c8b014d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]([CH3:7])([O:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][CH2:16][CH2:17][C:18](=[O:19])[OH:20])[cH:13][cH:14]1)[CH3:21].[CH3:28][N:29]([CH3:30])[CH:31]=[O:32].[CH3:34][S:35]([OH:36])(=[O:37])=[O:38].[CH3:39][O:40][c:41]1[cH:42][c:43]([CH2:47][N:48]([NH2:49])[C:50](=[O:51])[NH2:52])[cH:44][cH:45][cH:46]1.[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[Cl-:33].[Cl:22][C:23]([C:24]([Cl:25])=[O:26])=[O:27].[cH:59]1[cH:60][cH:61][n:62][cH:63][cH:64]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]([CH3:7])([O:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][CH2:16][CH2:17][C:18](=[O:20])[NH:49][N:48]([CH2:47][c:43]2[cH:42][c:41]([O:40][CH3:39])[cH:46][cH:45][cH:44]2)[C:50](=[O:51])[NH2:52])[cH:13][cH:14]1)[CH3:21]