HRID1231248

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID521865

1-Chloroethyl acetate

C4H7ClO2

结构：Cc1c(-c2ccc(CC(NC(=O)c3c(F)cccc3F)C(=O)O)cc2)c(=O)n(C)c(=O)n1C

HCID10161484

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OC(C)OC(=O)C(Cc1ccc(-c2c(C)n(C)c(=O)n(C)c2=O)cc1)NC(=O)c1c(F)cccc1F

HCID22613717

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3c0aa4a5071947ccbf1d86a05c75845e
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:34](=[O:35])([OH:36])[O-:37].[C:39]([CH3:40])(=[O:41])[O:42][CH:43]([CH3:44])[Cl:45].[F:1][c:2]1[c:3]([C:9](=[O:10])[NH:11][CH:12]([CH2:13][c:14]2[cH:15][cH:16][c:17](-[c:20]3[c:21](=[O:30])[n:22]([CH3:29])[c:23](=[O:28])[n:24]([CH3:27])[c:25]3[CH3:26])[cH:18][cH:19]2)[C:31](=[O:32])[OH:33])[c:4]([F:8])[cH:5][cH:6][cH:7]1.[Na+:38].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[OH2:46]>>[F:1][c:2]1[c:3]([C:9](=[O:10])[NH:11][CH:12]([CH2:13][c:14]2[cH:15][cH:16][c:17](-[c:20]3[c:21](=[O:30])[n:22]([CH3:29])[c:23](=[O:28])[n:24]([CH3:27])[c:25]3[CH3:26])[cH:18][cH:19]2)[C:31]([O:32][CH:43]([O:42][C:39]([CH3:40])=[O:41])[CH3:44])=[O:33])[c:4]([F:8])[cH:5][cH:6][cH:7]1