HRID92814

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID7504

Benzylamine

C7H9N

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID62365

Isobutyl chloroformate

C5H9ClO2

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(NCc1ccccc1)C(COC(F)F)N(Cc1ccccc1)Cc1ccccc1

HCID57539226

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-87aad36ba2954caf8c11e09f1459e571
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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.[CH2:41]([c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1)[NH2:48].[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[Cl:32][C:33]([O:34][CH2:35][CH:36]([CH3:37])[CH3:38])=[O:39].[ClH:40]>>[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:48][CH2:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]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