HRID1237190

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID67879

Benzoyl chloride, 4-fluoro-

C7H4ClFO

结构：CC(C)(C)OC(=O)c1ccc(-c2ccc3c(c2)OCO3)cc1N

HCID67342168

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1ccc(-c2ccc3c(c2)OCO3)cc1NC(=O)c1ccc(F)cc1

HCID67344518

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-14a5dd97a6d84aba88867d1bbc28de63
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:41](=[O:42])([O-:43])[OH:44].[CH2:46]([Cl:47])[Cl:48].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[F:8][c:9]1[cH:10][cH:11][c:12]([C:13](=[O:14])[Cl:15])[cH:16][cH:17]1.[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][c:34]3[c:35]([cH:39][cH:40]2)[O:36][CH2:37][O:38]3)[cH:31]1.[Na+:45]>>[F:8][c:9]1[cH:10][cH:11][c:12]([C:13](=[O:14])[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][c:34]4[c:35]([cH:39][cH:40]3)[O:36][CH2:37][O:38]4)[cH:31]2)[cH:16][cH:17]1