HRID95450

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID7918

Acetic anhydride

C4H6O3

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID23614759

未命名化合物

PRODUCTS

生成物

结构：O=CNC1CCN(c2ccc(OCc3cccc(F)c3)cc2)C1=O

HCID23614749

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-804bf319f4884c6fa82956ab41cb0356
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

[CH3:1][C:2](=[O:3])[O:4][C:5](=[O:6])[CH3:7].[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH:8]([OH:9])=[O:10].[Cl:39][CH2:40][Cl:41].[ClH:33].[NH2:11][CH:12]1[C:13](=[O:32])[N:14]([c:17]2[cH:18][cH:19][c:20]([O:23][CH2:24][c:25]3[cH:26][c:27]([F:31])[cH:28][cH:29][cH:30]3)[cH:21][cH:22]2)[CH2:15][CH2:16]1.[O:34]1[CH2:35][CH2:36][CH2:37][CH2:38]1.[OH2:42]>>[CH:2](=[O:3])[NH:11][CH:12]1[C:13](=[O:32])[N:14]([c:17]2[cH:18][cH:19][c:20]([O:23][CH2:24][c:25]3[cH:26][c:27]([F:31])[cH:28][cH:29][cH:30]3)[cH:21][cH:22]2)[CH2:15][CH2:16]1