HRID667450

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID3825578

未命名化合物

HCID20791239

未命名化合物

PRODUCTS

生成物

结构：O=C(C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1)c1c[nH]c2c(Br)ncc(F)c12

HCID59511305

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7dc0559dc4364c868380c36b118b4bed
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-:43]([F:44])([F:45])([F:46])[F:47].[Br: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].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[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:48]1([O:49][C:50]([N:51]([CH3:52])[CH3:53])=[N+:54]([CH3:55])[CH3:56])[c:57]2[cH:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]1>>[Br: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]