HRID1237032

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID674

Dimethylamine

C2H7N

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID2724942

未命名化合物

结构：COc1cc(-c2cc3cc(C=O)ccc3n2C(=O)OC(C)(C)C)c2c(c1O)CNC2=O

HCID86628299

未命名化合物

PRODUCTS

生成物

结构：COc1cc(-c2cc3cc(CN(C)C)ccc3n2C(=O)OC(C)(C)C)c2c(c1O)CNC2=O

HCID68493206

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-02a97f72be814be5b99e8f4c4d684d92
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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