HRID301898

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+

HCID81531

Diisopropylethylamine

C8H19N

HCID498716

未命名化合物

HCID11310605

3,5-diisopropoxybenzaldehyde

C13H18O3

结构：CCOc1cc(CN2CCC(NC(=O)c3cc(CO)cc(OC)c3)CC2)cc(OCC)c1F

HCID68458782

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CO)cc(C(=O)NC2CCN(C(=O)c3cc(OC(C)C)cc(OC(C)C)c3)CC2)c1

HCID68455452

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-11b82a302c824e4db4e0a02106d1d0cd
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:50]([BH3-:51])#[N:52].[CH2:1]([O:2][c:3]1[cH:4][c:5]([CH2:32][N:8]2[CH2:9][CH2:10][CH:11]([NH:14][C:15]([c:16]3[cH:17][c:18]([CH2:24][OH:25])[cH:19][c:20]([O:22][CH3:23])[cH:21]3)=[O:26])[CH2:12][CH2:13]2)[cH:6][c:7]([O:27][CH2:28][CH3:29])[c:30]1[F:31])[CH3:33].[CH2:54]([N:55]([CH:56]([CH3:57])[CH3:58])[CH:59]([CH3:60])[CH3:61])[CH3:62].[CH3:63][CH2:64][OH:65].[CH3:66][C:67](=[O:68])[OH:69].[CH:34]([CH3:35])([CH3:36])[O:37][c:38]1[cH:39][c:40]([CH:41]=[O:42])[cH:43][c:44]([O:46][CH:47]([CH3:48])[CH3:49])[cH:45]1.[Na+:53]>>[N:8]1([C:41]([c:40]2[cH:39][c:38]([O:37][CH:34]([CH3:35])[CH3:36])[cH:45][c:44]([O:46][CH:47]([CH3:48])[CH3:49])[cH:43]2)=[O:42])[CH2:9][CH2:10][CH:11]([NH:14][C:15]([c:16]2[cH:17][c:18]([CH2:24][OH:25])[cH:19][c:20]([O:22][CH3:23])[cH:21]2)=[O:26])[CH2:12][CH2:13]1