HRID938851

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7478

4-Anisic acid

C8H8O3

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID2777349

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=O)N2CCc3sccc3C2c2ccc(OC(F)(F)F)cc2)cc1

HCID10252289

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fc35d02e1c8e48aa8fc5ed4f816cee70
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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