HRID152243

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID11782

2,3-Dimethylbenzoic acid

C9H10O2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：CC(C)(C)OC(=O)Oc1ccc(-c2ccc(C(=O)OC(C)(C)C)c(N)c2)cc1

HCID67344180

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(C(=O)Nc2cc(-c3ccc(OC(=O)OC(C)(C)C)cc3)ccc2C(=O)OC(C)(C)C)c1C

HCID67342726

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd29befd533b4b4fbdb0923c82468c5f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:46](=[O:47])([O-:48])[OH:49].[CH2:58]([Cl:59])[Cl:60].[CH3:51][CH2:52][N:53]([CH2:54][CH3:55])[CH2:56][CH3:57].[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[CH3:7][c:8]1[c:9]([C:10](=[O:11])[OH:12])[cH:13][cH:14][cH:15][c:16]1[CH3:17].[Cl:1][C:2]([C:3]([Cl:4])=[O:5])=[O:6].[NH2:18][c:19]1[c:20]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[cH:28][cH:29][c:30](-[c:32]2[cH:33][cH:34][c:35]([O:38][C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[cH:36][cH:37]2)[cH:31]1.[Na+:50]>>[CH3:7][c:8]1[c:9]([C:10](=[O:12])[NH:18][c:19]2[c:20]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[cH:28][cH:29][c:30](-[c:32]3[cH:33][cH:34][c:35]([O:38][C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[cH:36][cH:37]3)[cH:31]2)[cH:13][cH:14][cH:15][c:16]1[CH3:17]