HRID813938

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID702

Ethanol

C2H6O

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID68409

1-Chloro-2-methylpropan-2-ol

C4H9ClO

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C(CCC(CN)c1cccc(F)c1F)C(=O)O

HCID22293248

未命名化合物

PRODUCTS

生成物

结构：CC(C)(O)CN1CC(c2cccc(F)c2F)CCC(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C1=O

HCID178459286

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f8075fcb3bb414f8154bb5fa6ce7c73
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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