HRID2129002

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

结构：CC(NC(=O)OC(C)(C)C)C(=O)ON1C(=O)CCC1=O

HCID100126

未命名化合物

HCID4329362

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)OC(C)(C)C)C(=O)OCCCNc1nc2cc(F)ccc2n2ccnc12

HCID178465482

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9bdebd5b1f9f42d9b26ae3926d2085b4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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