HRID298562

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID81531

Diisopropylethylamine

C8H19N

HCID244728

3-Ethoxy-4-methoxybenzaldehyde

C10H12O3

HCID498716

未命名化合物

结构：COC(=O)C(C)(C)c1ccc(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)cc1

HCID68454766

未命名化合物

结构：COC(=O)C(C)(C)c1ccc(C(=O)NC2CCNCC2)cc1

HCID68459381

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(CN2CCC(NC(=O)c3ccc(C(C)(C)C(=O)OC)cc3)CC2)ccc1OC

HCID68456987

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4814880adaa644ff93fffce954cc1d55
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:23]([O:24][C:25]([N:26]1[CH2:27][CH2:28][CH:29]([NH:30][C:31](=[O:32])[c:33]2[cH:34][cH:35][c:36]([C:37]([C:38]([O:39][CH3:40])=[O:41])([CH3:42])[CH3:43])[cH:44][cH:45]2)[CH2:46][CH2:47]1)=[O:48])([CH3:49])([CH3:50])[CH3:51].[C:72]([BH3-:73])#[N:74].[CH2:59]([CH3:60])[O:61][c:62]1[cH:63][c:64]([CH:65]=[O:66])[cH:67][cH:68][c:69]1[O:70][CH3:71].[CH2:76]([N:77]([CH:78]([CH3:79])[CH3:80])[CH:81]([CH3:82])[CH3:83])[CH3:84].[CH3:1][O:2][C:3]([C:4]([CH3:5])([c:6]1[cH:7][cH:8][c:9]([C:12]([NH:13][CH:14]2[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]2)=[O:20])[cH:10][cH:11]1)[CH3:21])=[O:22].[CH3:88][CH2:89][OH:90].[CH3:91][C:92](=[O:93])[OH:94].[Cl:85][CH2:86][Cl:87].[F:52][C:53]([F:54])([F:55])[C:56]([OH:57])=[O:58].[Na+:75]>>[CH3:1][O:2][C:3]([C:4]([CH3:5])([c:6]1[cH:7][cH:8][c:9]([C:12]([NH:13][CH:14]2[CH2:15][CH2:16][N:17]([CH2:65][c:64]3[cH:63][c:62]([O:61][CH2:59][CH3:60])[c:69]([O:70][CH3:71])[cH:68][cH:67]3)[CH2:18][CH2:19]2)=[O:20])[cH:10][cH:11]1)[CH3:21])=[O:22]