HRID679924

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

2 次

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID32051

Zinc (II) cation

Zn+2

HCID65367

Methanesulfonic acid, trifluoro-, trimethylsilyl ester

C4H9F3O3SSi

结构：CC(=O)OC1NC(=O)C1C(CO[SiH](C)C)C(C)(C)C

HCID173232100

未命名化合物

HCID178459647

未命名化合物

PRODUCTS

生成物

结构：C=CCOC(=O)N1CCCC1C=C(C)C(=O)CC1NC(=O)C1C(CO[SiH](C)C)C(C)(C)C

HCID178459648

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e361495e529648c9ab70f39943f47913
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br-:63].[Br-:65].[C:30]([O:31][CH:34]1[CH:35]([CH:39]([CH2:40][O:41][SiH:42]([CH3:43])[CH3:44])[C:45]([CH3:46])([CH3:47])[CH3:48])[C:36](=[O:38])[NH:37]1)(=[O:32])[CH3:33].[C:49](=[O:50])([O-:51])[OH:52].[CH2:1]([CH:2]=[CH2:3])[O:4][C:5](=[O:6])[N:7]1[CH:8]([CH:12]=[C:13]([C:14]([CH3:15])=[O:16])[CH3:17])[CH2:9][CH2:10][CH2:11]1.[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[CH3:67][CH2:68][N:69]([CH2:70][CH3:71])[CH2:72][CH3:73].[Cl:54][CH2:55][Cl:56].[F:18][C:19]([F:20])([F:21])[S:22]([O:23][Si:24]([CH3:25])([CH3:26])[CH3:27])(=[O:28])=[O:29].[Na+:53].[OH2:66].[Zn+2:64]>>[CH2:1]([CH:2]=[CH2:3])[O:4][C:5](=[O:6])[N:7]1[CH:8]([CH:12]=[C:13]([C:14]([CH2:15][CH:34]2[CH:35]([CH:39]([CH2:40][O:41][SiH:42]([CH3:43])[CH3:44])[C:45]([CH3:46])([CH3:47])[CH3:48])[C:36](=[O:38])[NH:37]2)=[O:16])[CH3:17])[CH2:9][CH2:10][CH2:11]1