HRID1562009

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+

HCID85505

4-Chloro-3-nitrobenzaldehyde

C7H4ClNO3

HCID498716

未命名化合物

结构：CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)NC1CCNC1

HCID18426286

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)NC1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1

HCID18426287

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-13fbe050d0d24a918fd620f737b2555d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([C:11](=[O:12])[NH:13][CH2:14][C:15](=[O:16])[NH:17][CH:18]2[CH2:19][NH:20][CH2:21][CH2:22]2)[cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]1.[C:47]([BH3-:48])#[N:49].[CH3:43][C:44](=[O:45])[OH:46].[CH3:51][OH:52].[Cl:31][c:32]1[c:33]([N+:40](=[O:41])[O-:42])[cH:34][c:35]([CH:36]=[O:37])[cH:38][cH:39]1.[Na+:50]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([C:11](=[O:12])[NH:13][CH2:14][C:15](=[O:16])[NH:17][CH:18]2[CH2:19][N:20]([CH2:36][c:35]3[cH:34][c:33]([N+:40](=[O:41])[O-:42])[c:32]([Cl:31])[cH:39][cH:38]3)[CH2:21][CH2:22]2)[cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]1