HRID321417

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID137876

1,8,8-Trimethylbicyclo[3.2.1]octane-2,4-dione

C11H16O2

HCID2733265

4-Chloro-3-(trifluoromethyl)phenyl isocyanate

C8H3ClF3NO

PRODUCTS

生成物

结构：CC12CCC(C(=O)C(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C1=O)C2(C)C

HCID11603749

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ca066c4ab194b619a676cb67d73dd17
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

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