HRID698733

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID6386

tert-Butyl alcohol

C4H10O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2782827

3,3-difluoropyrrolidine

C4H7F2N

结构：CCCN(C)C(=O)c1cc(C(=O)O)cc(C(=O)OCC)c1

HCID68814680

未命名化合物

PRODUCTS

生成物

结构：CCCN(C)C(=O)c1cc(C(=O)OCC)cc(C(=O)N2CCC(F)(F)C2)c1

HCID68814358

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be626b2349bb4298b314f05dae5b4dc2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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