HRID688259

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID8471

Triethylamine

C6H15N

HCID203813

未命名化合物

反应SMILES：CC(C)(C)C(=O)Nc1nc2c(c(NC(=O)C(C)(C)C)n1)CC(=O)CC2

HCID19705190

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)C(=O)Nc1nc2c(c(NC(=O)C(C)(C)C)n1)CC(=NOCc1cccc(C(F)(F)F)c1)CC2

HCID54231774

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d053aca703d746a8a88fa2272c2db514
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

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