HRID1114791

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+

HCID12840

6-Nitropiperonal

C8H5NO5

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(Cc2cc3c(cc2[N+](=O)[O-])OCO3)C1

HCID178452729

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-625daf3a11534d52aaab2981ae07986b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

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:49]([BH3-:50])#[N:51].[CH2:31]1[O:32][c:33]2[cH:34][c:35]([N+:42](=[O:43])[O-:44])[c:36]([CH:37]=[O:38])[cH:39][c:40]2[O:41]1.[CH3:45][C:46](=[O:47])[OH:48].[CH3:53][OH:54].[Na+:52]>>[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]([CH2:37][c:36]3[c:35]([N+:42](=[O:43])[O-:44])[cH:34][c:33]4[c:40]([cH:39]3)[O:41][CH2:31][O:32]4)[CH2:21][CH2:22]2)[cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]1