HRID111990

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

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID13007

Piperidine, 1-ethyl-

C7H15N

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

结构：C=CCOC(=O)N1CC(OC(=O)NC)CC1C=C(C)C(C)=O

HCID178459746

未命名化合物

PRODUCTS

生成物

结构：C=CCOC(=O)N1CC(OC(=O)NC)CC1C=C(C)C(=O)CC1NC(=O)C1C(CO[SiH](C)C)C(C)(C)C

HCID178459747

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-04fdfb3212624443b93d0f1e67c7bf3c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1]([O:2][CH:5]1[CH:6]([CH:10]([CH2:11][O:12][SiH:13]([CH3:14])[CH3:15])[C:16]([CH3:17])([CH3:18])[CH3:19])[C:7](=[O:9])[NH:8]1)(=[O:3])[CH3:4].[C:62](=[O:63])([O-:64])[OH:65].[CH2:40]([CH:41]=[CH2:42])[O:43][C:44](=[O:45])[N:46]1[CH:47]([CH:56]=[C:57]([C:58]([CH3:59])=[O:60])[CH3:61])[CH2:48][CH:49]([O:51][C:52]([NH:53][CH3:54])=[O:55])[CH2:50]1.[CH3:20][CH2:21][N:22]1[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]1.[CH3:71][CH2:72][O:73][C:74](=[O:75])[CH3:76].[Cl:67][CH2:68][Cl:69].[F:28][C:29]([F:30])([F:31])[S:32]([O:33][Si:34]([CH3:35])([CH3:36])[CH3:37])(=[O:38])=[O:39].[Na+:66].[OH2:70]>>[CH:5]1([CH2:59][C:58]([C:57](=[CH:56][CH:47]2[N:46]([C:44]([O:43][CH2:40][CH:41]=[CH2:42])=[O:45])[CH2:50][CH:49]([O:51][C:52]([NH:53][CH3:54])=[O:55])[CH2:48]2)[CH3:61])=[O:60])[CH:6]([CH:10]([CH2:11][O:12][SiH:13]([CH3:14])[CH3:15])[C:16]([CH3:17])([CH3:18])[CH3:19])[C:7](=[O:9])[NH:8]1