HRID1123995

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID26255

Tetrafluoroborate

BF4-

HCID130500

未命名化合物

HCID10821228

6-fluoro-1H-indazole-3-carboxylic Acid

C8H5FN2O2

结构：CC(C)(C)OC(=O)N1CCOC(c2ccc(N)c(F)c2)C1

HCID68325450

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCOC(c2ccc(NC(=O)c3n[nH]c4cc(F)ccc34)c(F)c2)C1

HCID71086887

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8a5aa6d19cbd44dda15cd8919149166a
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-:29]([F:30])([F:31])([F:32])[F:33].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([c:14]2[cH:15][c:16]([F:21])[c:17]([NH2:20])[cH:18][cH:19]2)[O:11][CH2:12][CH2:13]1.[CH2:64]1[O:65][CH2:66][CH2:67][CH2:68]1.[CH3:22][N:23]1[CH2:24][CH2:25][O:26][CH2:27][CH2:28]1.[F:51][c:52]1[cH:53][cH:54][c:55]2[c:56]([C:61](=[O:62])[OH:63])[n:57][nH:58][c:59]2[cH:60]1.[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[n:34]1([O:35][C:36]([N:37]([CH3:38])[CH3:39])=[N+:40]([CH3:41])[CH3:42])[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([c:14]2[cH:15][c:16]([F:21])[c:17]([NH:20][C:61]([c:56]3[c:55]4[cH:54][cH:53][c:52]([F:51])[cH:60][c:59]4[nH:58][n:57]3)=[O:62])[cH:18][cH:19]2)[O:11][CH2:12][CH2:13]1