HRID2337479

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID2724942

未命名化合物

反应SMILES：CC(C)(C)[Si](C)(C)OC(CN)c1ccc(O)c2[nH]c(=O)ccc12

HCID21880602

未命名化合物

反应SMILES：CN(CCCCC(=O)Nc1ccc(C=O)cc1)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1

HCID86646966

未命名化合物

PRODUCTS

产物

反应SMILES：CN(CCCCC(=O)Nc1ccc(CNCC(O[Si](C)(C)C(C)(C)C)c2ccc(O)c3[nH]c(=O)ccc23)cc1)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1

HCID173735950

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-473fbd0d9b8741799fbc5fece9c5b2cd
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

[C:44]([OH:45])(=[O:46])[CH3:47].[C:74]([O:75][BH-:76]([O:77][C:78](=[O:79])[CH3:80])[O:81][C:82](=[O:83])[CH3:84])(=[O:85])[CH3:86].[CH3:88][OH:89].[CH:1](=[O:2])[c:3]1[cH:4][cH:5][c:6]([NH:9][C:10](=[O:11])[CH2:12][CH2:13][CH2:14][CH2:15][N:16]([C:17](=[O:18])[CH2:19][CH2:20][N:21]2[CH2:22][CH2:23][CH:24]([O:27][C:28]([NH:29][c:30]3[c:31](-[c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[cH:32][cH:33][cH:34][cH:35]3)=[O:42])[CH2:25][CH2:26]2)[CH3:43])[cH:7][cH:8]1.[Cl:71][CH2:72][Cl:73].[NH2:48][CH2:49][CH:50]([O:51][Si:52]([CH3:53])([CH3:54])[C:55]([CH3:56])([CH3:57])[CH3:58])[c:59]1[c:60]2[cH:61][cH:62][c:63](=[O:70])[nH:64][c:65]2[c:66]([OH:69])[cH:67][cH:68]1.[Na+:87]>>[c:3]1([CH2:44][NH:48][CH2:49][CH:50]([O:51][Si:52]([CH3:53])([CH3:54])[C:55]([CH3:56])([CH3:57])[CH3:58])[c:59]2[c:60]3[cH:61][cH:62][c:63](=[O:70])[nH:64][c:65]3[c:66]([OH:69])[cH:67][cH:68]2)[cH:4][cH:5][c:6]([NH:9][C:10](=[O:11])[CH2:12][CH2:13][CH2:14][CH2:15][N:16]([C:17](=[O:18])[CH2:19][CH2:20][N:21]2[CH2:22][CH2:23][CH:24]([O:27][C:28]([NH:29][c:30]3[c:31](-[c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[cH:32][cH:33][cH:34][cH:35]3)=[O:42])[CH2:25][CH2:26]2)[CH3:43])[cH:7][cH:8]1