HRID1229803

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

结构：O=C1Nc2ccc(Cl)cc2C(C#CC2CC2)(C(F)(F)F)O1

HCID3203

(+/-)-Efavirenz

C14H9ClF3NO2

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID565594

未命名化合物

PRODUCTS

生成物

结构：CC1(C)C2CCC1(C)C(C(=O)N1C(=O)OC(C#CC3CC3)(C(F)(F)F)c3cc(Cl)ccc31)C2

HCID178421827

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-48447f84b991490cbce3b46f2c825aca
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:23]12([CH3:35])[CH:24]([C:32](=[O:33])[OH:34])[CH2:25][CH:26]([CH2:27][CH2:28]1)[C:29]2([CH3:30])[CH3:31].[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH3:43][N:44]([CH3:45])[c:46]1[cH:47][cH:48][n:49][cH:50][cH:51]1.[Cl-:22].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:21]1)[C:7]([C:12]([F:13])([F:14])[F:15])([C:16]#[C:17][CH:18]1[CH2:19][CH2:20]1)[O:8][C:9](=[O:11])[NH:10]2.[Cl:52][CH2:53][Cl:54]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:21]1)[C:7]([C:12]([F:13])([F:14])[F:15])([C:16]#[C:17][CH:18]1[CH2:19][CH2:20]1)[O:8][C:9](=[O:11])[N:10]2[C:32]([CH:24]1[C:23]2([CH3:35])[CH2:28][CH2:27][CH:26]([CH2:25]1)[C:29]2([CH3:30])[CH3:31])=[O:33]