HRID1129187

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)CCN(C(=O)OC(C)(C)C)C1

HCID67223954

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(NC(=O)OCc2ccccc2)(C(F)(F)CO)C1

HCID67222813

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e8bc4221d14a4ae9993d32eb3f865ec5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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