HRID213370

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID76310

2-Aminoindane

C9H11N

HCID498716

未命名化合物

反应SMILES：COC(=O)Cc1cccc(Oc2ccc(C(F)(F)F)cc2C=O)c1

HCID58237636

Methyl 3-[2-formyl-4-(trifluoromethyl)phenoxy]benzeneacetate

C17H13F3O4

PRODUCTS

产物

反应SMILES：COC(=O)Cc1cccc(Oc2ccc(C(F)(F)F)cc2CNC2Cc3ccccc3C2)c1

HCID58288478

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a7f2f34fc1a94d4eb55d896035cdec99
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

[C:41]([BH3-:42])#[N:43].[CH3:13][C:14](=[O:15])[O-:16].[CH3:17][O:18][C:19]([CH2:20][c:21]1[cH:22][c:23]([O:27][c:28]2[c:29]([CH:38]=[O:39])[cH:30][c:31]([C:34]([F:35])([F:36])[F:37])[cH:32][cH:33]2)[cH:24][cH:25][cH:26]1)=[O:40].[CH3:45][OH:46].[ClH:1].[NH2:2][CH:3]1[CH2:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]2[CH2:11]1.[Na+:12].[Na+:44]>>[NH:2]([CH:3]1[CH2:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]2[CH2:11]1)[CH2:38][c:29]1[c:28]([O:27][c:23]2[cH:22][c:21]([CH2:20][C:19]([O:18][CH3:17])=[O:40])[cH:26][cH:25][cH:24]2)[cH:33][cH:32][c:31]([C:34]([F:35])([F:36])[F:37])[cH:30]1