HRID1228088

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

3 次

HCID6212

Chloroform

CHCl3

HCID24823

Ozone

HCID28123

Tetrahydroborate

H4B-

结构：C=CC(F)(F)C1(NC(=O)OCc2ccccc2)CCCN(C(=O)OC(C)(C)C)C1

HCID58293296

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCC(NC(=O)OCc2ccccc2)(C(F)(F)CO)C1

HCID58293317

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-703122ebd3314a19a8a492670afc7e17
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

[BH4-:33].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C:10]([C:14]([CH:15]=[CH2:16])([F:17])[F:18])([NH:19][C:20](=[O:21])[O:22][CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[CH2:11][CH2:12][CH2:13]1.[C:35](=[O:36])([OH:37])[O-:38].[CH3:42][OH:43].[CH:44]([Cl:45])([Cl:46])[Cl:47].[Cl-:41].[Na+:34].[Na+:39].[Na+:40].[O-:30][O+:31]=[O:32]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C:10]([C:14]([CH2:15][OH:30])([F:17])[F:18])([NH:19][C:20](=[O:21])[O:22][CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[CH2:11][CH2:12][CH2:13]1