HRID2347105

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

反应SMILES：CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O

HCID2269

未命名化合物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID16368

5-Bromovaleric acid

C5H9BrO2

HCID62493

2,2-Dimethylpropanoyl chloride

C5H9ClO

PRODUCTS

产物

HCID21894693

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-5ae813366c82489491f13e65a1fa8a62
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

[Br:1][CH2:2][CH2:3][CH2:4][CH2:5][C:6]([OH:7])=[O:8].[C:16]([Cl:17])(=[O:18])[C:19]([CH3:20])([CH3:21])[CH3:22].[CH3:23][CH2:24][CH:25]1[C:26]([OH:27])([CH3:28])[CH:29]([OH:30])[CH:31]([CH3:44])[N:45]([CH3:46])[CH2:47][CH:48]([CH3:49])[CH2:50][C:51]([OH:52])([CH3:53])[CH:54]([O:55][CH:56]2[CH:57]([OH:58])[CH:59]([N:60]([CH3:61])[CH3:62])[CH2:63][CH:64]([CH3:65])[O:66]2)[CH:67]([CH3:68])[CH:69]([O:32][CH:33]2[CH2:34][C:35]([CH3:36])([O:37][CH3:38])[CH:39]([OH:40])[CH:41]([CH3:42])[O:43]2)[CH:70]([CH3:71])[C:72](=[O:73])[O:74]1.[CH3:9][CH2:10][N:11]([CH2:12][CH3:13])[CH2:14][CH3:15].[Cl:80][CH2:81][Cl:82].[Na+:79].[O-:75][C:76]([OH:77])=[O:78]>>[O:32]=[CH:33][CH2:34][C:35]([CH3:36])([O:37][CH3:38])[CH:39]([OH:40])[CH:41]([CH3:42])[OH:43]