HRID700932

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID67326

Benzenemethanamine, 4-fluoro-

C7H8FN

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：COC(=O)c1cc(C(=O)O)cc(-c2ccc(F)cc2)c1

HCID66616568

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(C(=O)NCc2ccc(F)cc2)cc(-c2ccc(F)cc2)c1

HCID66616612

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a1d8bfdb449a40ed980d14ab924fdb71
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

[CH3:21][CH2:22][N:23]=[C:24]=[N:25][CH2:26][CH2:27][CH2:28][N:29]([CH3:30])[CH3:31].[CH3:66][CH2:67][O:68][C:69]([CH3:70])=[O:71].[Cl:63][CH2:64][Cl:65].[ClH:32].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]([C:18](=[O:19])[OH:20])[cH:11][c:12]([C:14](=[O:15])[O:16][CH3:17])[cH:13]2)[cH:6][cH:7]1.[F:44][c:45]1[cH:46][cH:47][c:48]([CH2:51][NH2:52])[cH:49][cH:50]1.[Na+:57].[O-:53][C:54]([OH:55])=[O:56].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[OH2:43].[OH:33][n:34]1[c:35]2[c:36]([cH:37][cH:38][cH:39][cH:40]2)[n:41][n:42]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]([C:18](=[O:20])[NH:52][CH2:51][c:48]3[cH:47][cH:46][c:45]([F:44])[cH:50][cH:49]3)[cH:11][c:12]([C:14](=[O:15])[O:16][CH3:17])[cH:13]2)[cH:6][cH:7]1