HRID1553640

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID123572

3,4-Difluorobenzylamine

C7H7F2N

结构：O=C(O)C(COC(F)F)N(Cc1ccccc1)Cc1ccccc1

HCID57539219

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1ccc(F)c(F)c1)C(COC(F)F)N(Cc1ccccc1)Cc1ccccc1

HCID57539235

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dba2dc33be3c4b9eb9e6c311c7ac45df
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([CH:9]([C:10](=[O:11])[OH:12])[CH2:13][O:14][CH:15]([F:16])[F:17])[CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1.[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[Cl:32][C:33]([O:34][CH2:35][CH:36]([CH3:37])[CH3:38])=[O:39].[F:40][c:41]1[cH:42][c:43]([CH2:44][NH2:45])[cH:46][cH:47][c:48]1[F:49]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([CH:9]([C:10](=[O:12])[NH:45][CH2:44][c:43]1[cH:42][c:41]([F:40])[c:48]([F:49])[cH:47][cH:46]1)[CH2:13][O:14][CH:15]([F:16])[F:17])[CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1