HRID300301

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6422

未命名化合物

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID57590497

7-Bromo-4-methoxy-α-oxo-1H-pyrrolo[2,3-c]pyridine-3-acetic acid

C10H7BrN2O4

HCID58026064

未命名化合物

PRODUCTS

生成物

结构：COc1cnc(Br)c2[nH]cc(C(=O)C(=O)N3CCc4c(ncnc4-c4ccccn4)C3)c12

HCID58026038

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cafc8788ed164ce3ba6abde8d3d65d77
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[B-:50]([F:51])([F:52])([F:53])[F:54].[Br:1][c:2]1[n:3][cH:4][c:5]([O:16][CH3:17])[c:6]2[c:7]1[nH:8][cH:9][c:10]2[C:11]([C:12](=[O:13])[OH:14])=[O:15].[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[F:34][C:35]([F:36])([F:37])[C:38]([OH:39])=[O:40].[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[n:18]1[c:19](-[c:24]2[c:25]3[c:26]([n:27][cH:28][n:29]2)[CH2:30][NH:31][CH2:32][CH2:33]3)[cH:20][cH:21][cH:22][cH:23]1.[n:55]1([O:56][C:57]([N:58]([CH3:59])[CH3:60])=[N+:61]([CH3:62])[CH3:63])[c:64]2[cH:65][cH:66][cH:67][cH:68][c:69]2[n:70][n:71]1>>[Br:1][c:2]1[n:3][cH:4][c:5]([O:16][CH3:17])[c:6]2[c:7]1[nH:8][cH:9][c:10]2[C:11]([C:12](=[O:14])[N:31]1[CH2:30][c:26]2[c:25]([c:24](-[c:19]3[n:18][cH:23][cH:22][cH:21][cH:20]3)[n:29][cH:28][n:27]2)[CH2:33][CH2:32]1)=[O:15]