HRID681443

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID26255

Tetrafluoroborate

BF4-

HCID130500

未命名化合物

HCID3825578

未命名化合物

HCID59511193

未命名化合物

PRODUCTS

生成物

结构：Nc1ncc(F)c2c(C(=O)C(=O)N3CCN(c4nnnn4-c4ccccc4)CC3)c[nH]c12

HCID24875252

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cb251b97214a44339e015a9e6c504abf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[B-:41]([F:42])([F:43])([F:44])[F:45].[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:68][N:69]([c:70]1[cH:71][cH:72][n:73][cH:74][cH:75]1)[CH3:76].[NH2:1][c:2]1[n:3][cH:4][c:5]([F:16])[c:6]2[c:7]1[nH:8][cH:9][c:10]2[C:11]([C:12](=[O:13])[OH:14])=[O:15].[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[c:17]1(-[n:23]2[n:24][n:25][n:26][c:27]2[N:28]2[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]2)[cH:18][cH:19][cH:20][cH:21][cH:22]1.[n:46]1([O:47][C:48]([N:49]([CH3:50])[CH3:51])=[N+:52]([CH3:53])[CH3:54])[c:55]2[cH:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1>>[NH2:1][c:2]1[n:3][cH:4][c:5]([F:16])[c:6]2[c:7]1[nH:8][cH:9][c:10]2[C:11]([C:12](=[O:14])[N:31]1[CH2:30][CH2:29][N:28]([c:27]2[n:23](-[c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[n:24][n:25][n:26]2)[CH2:33][CH2:32]1)=[O:15]