HRID207093

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

HCID6049

Ethylenediaminetetraacetic acid

C10H16N2O8

HCID6342

Acetonitrile

C2H3N

HCID9871

Trifluoroacetone

C3H3F3O

HCID5360545

Sodium

2 次

结构：C=C1C(CCCl)C(=O)NC1(C(=O)OC)C(O[Si](C)(C)C(C)(C)C)C1CCCCC1

HCID68577346

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1(C(O[Si](C)(C)C(C)(C)C)C2CCCCC2)NC(=O)C(CCCl)C12CO2

HCID76611658

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-69e87b6825ef40119bcc43c8de6a025d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:59](=[O:60])([OH:61])[O-:62].[CH2:3]([N:4]([CH2:5][C:6]([OH:7])=[O:9])[CH2:10][C:11]([OH:12])=[O:13])[CH2:14][N:15]([CH2:16][C:17]([OH:18])=[O:19])[CH2:20][C:21](=[O:8])[OH:22].[CH3:23][O:24][C:25](=[O:26])[C:27]1([CH:37]([CH:38]2[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]2)[O:44][Si:45]([CH3:46])([CH3:47])[C:48]([CH3:49])([CH3:50])[CH3:51])[NH:28][C:29](=[O:36])[CH:30]([CH2:33][CH2:34][Cl:35])[C:31]1=[CH2:32].[CH3:64][C:65]#[N:66].[F:52][C:53]([F:54])([F:55])[C:56](=[O:57])[CH3:58].[Na+:63].[Na:1].[Na:2].[OH2:67]>>[O:8]1[C:31]2([C:27]([C:25]([O:24][CH3:23])=[O:26])([CH:37]([CH:38]3[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]3)[O:44][Si:45]([CH3:46])([CH3:47])[C:48]([CH3:49])([CH3:50])[CH3:51])[NH:28][C:29](=[O:36])[CH:30]2[CH2:33][CH2:34][Cl:35])[CH2:32]1