HRID203207

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID888

Magnesium cation

Mg+2

HCID1117

Sulfate

O4S-2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID66018

Benzene, 4-(chloromethyl)-1,2-dimethyl-

C9H11Cl

结构：CC(C)(C)OC(=O)C(C)(C)Oc1ccc(CCCC2NC(=O)NC2=O)cc1

HCID57718922

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(CN2C(=O)NC(CCCc3ccc(OC(C)(C)C(=O)OC(C)(C)C)cc3)C2=O)cc1C

HCID57719087

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d5279b8d7c1145e4acabc2e549355922
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

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