HRID190834

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID1049

Pyridine

C5H5N

HCID6228

Dimethylformamide

C3H7NO

HCID6395

Methanesulfonic acid

CH4O3S

HCID8857

Ethyl acetate

C4H8O2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

反应SMILES：CCOC(=O)C(C)(C)Oc1ccc(CCCC(=O)O)cc1

HCID23584129

未命名化合物

HCID59015909

未命名化合物

PRODUCTS

产物

反应SMILES：CCOC(=O)C(C)(C)Oc1ccc(CCCC(=O)NN(Cc2ccc(C)c(C)c2)C(=O)NC)cc1

HCID59016005

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-88fa4c84d0e047b18aa8e44ea5502a4f
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

[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][NH:40][C:41](=[O:42])[N:43]([NH2:44])[CH2:45][c:46]1[cH:47][c:48]([CH3:53])[c:49]([CH3:52])[cH:50][cH:51]1.[CH3:60][CH2:61][O:62][C:63](=[O:64])[CH3:65].[Cl-:33].[Cl:22][C:23]([C:24]([Cl:25])=[O:26])=[O:27].[cH:54]1[cH:55][cH:56][n:57][cH:58][cH:59]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:44][N:43]([C:41]([NH:40][CH3:39])=[O:42])[CH2:45][c:46]2[cH:47][c:48]([CH3:53])[c:49]([CH3:52])[cH:50][cH:51]2)[cH:13][cH:14]1)[CH3:21]