HRID2330236

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

反应SMILES：CC(O)(c1ccc(C(=O)O)cc1)C(F)(F)F

HCID57892527

未命名化合物

HCID57892532

未命名化合物

PRODUCTS

产物

反应SMILES：CC(O)(c1ccc(C(=O)N(C2CCC(c3cccnc3)CC2)C2CC2)cc1)C(F)(F)F

HCID56677324

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8f39486cea6648ad8a311a3404a0b68e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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