HRID188710

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

HCID8471

Triethylamine

C6H15N

HCID2760944

未命名化合物

结构：CC(NC(=O)OC(C)(C)C)C(=O)NCc1cc(-n2nc(C(F)(F)F)cc2C(=O)O)cs1

HCID69298556

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccccc1CNC(=O)c1cc(C(F)(F)F)nn1-c1csc(CNC(=O)C(C)NC(=O)OC(C)(C)C)c1

HCID69300598

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab53043f85bf4acc8d31e814fbd29970
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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