HRID1148057

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID6422

未命名化合物

HCID26255

Tetrafluoroborate

BF4-

HCID66649

Benzenemethanamine, 2-fluoro-

C7H8FN

HCID2733205

未命名化合物

结构：CC(C(=O)O)C(=O)NC1C(=O)N(C)c2ccccc2-c2ccccc21

HCID21072500

未命名化合物

PRODUCTS

生成物

结构：CC(C(=O)NCc1ccccc1F)C(=O)NC1C(=O)N(C)c2ccccc2-c2ccccc21

HCID10095038

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c26d9a0a8a3b4c54a592cd31619f6e0c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[B-:35]([F:36])([F:37])([F:38])[F:39].[CH3:1][CH:2]([C:3](=[O:4])[OH:5])[C:6](=[O:7])[NH:8][CH:9]1[c:10]2[c:11]([cH:22][cH:23][cH:24][cH:25]2)-[c:12]2[c:13]([cH:18][cH:19][cH:20][cH:21]2)[N:14]([CH3:17])[C:15]1=[O:16].[CH3:55][C:56]#[N:57].[F:26][c:27]1[c:28]([CH2:29][NH2:30])[cH:31][cH:32][cH:33][cH:34]1.[F:63][C:64]([F:65])([F:66])[C:67]([OH:68])=[O:69].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[n:40]1([O:41][C:42]([N:43]([CH3:44])[CH3:45])=[N+:46]([CH3:47])[CH3:48])[cH:49][cH:50][cH:51][cH:52][c:53]1=[O:54]>>[CH3:1][CH:2]([C:3](=[O:5])[NH:30][CH2:29][c:28]1[c:27]([F:26])[cH:34][cH:33][cH:32][cH:31]1)[C:6](=[O:7])[NH:8][CH:9]1[c:10]2[c:11]([cH:22][cH:23][cH:24][cH:25]2)-[c:12]2[c:13]([cH:18][cH:19][cH:20][cH:21]2)[N:14]([CH3:17])[C:15]1=[O:16]