HRID289161

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

HCID269369

3-Pyridazinecarboxylic acid

C5H4N2O2

结构：CC(Oc1ncc(N)cc1-c1ccc(Cl)cc1)C(F)(F)F

HCID77259103

未命名化合物

PRODUCTS

生成物

结构：CC(Oc1ncc(NC(=O)c2cccnn2)cc1-c1ccc(Cl)cc1)C(F)(F)F

HCID67280636

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e86f7b7cf72b4aeaa060c43894ccfe95
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-:10]([F:11])([F:12])([F:13])[F:14].[CH2:32]([N:33]([CH:34]([CH3:35])[CH3:36])[CH:37]([CH3:38])[CH3:39])[CH3:40].[Cl:41][c:42]1[cH:43][cH:44][c:45](-[c:48]2[cH:49][c:50]([NH2:61])[cH:51][n:52][c:53]2[O:54][CH:55]([C:56]([F:57])([F:58])[F:59])[CH3:60])[cH:46][cH:47]1.[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[n:15]1([O:16][C:17]([N:18]([CH3:19])[CH3:20])=[N+:21]([CH3:22])[CH3:23])[c:24]2[cH:25][cH:26][cH:27][cH:28][c:29]2[n:30][n:31]1.[n:1]1[n:2][c:3]([C:7](=[O:8])[OH:9])[cH:4][cH:5][cH:6]1>>[n:1]1[n:2][c:3]([C:7](=[O:9])[NH:61][c:50]2[cH:49][c:48](-[c:45]3[cH:44][cH:43][c:42]([Cl:41])[cH:47][cH:46]3)[c:53]([O:54][CH:55]([C:56]([F:57])([F:58])[F:59])[CH3:60])[n:52][cH:51]2)[cH:4][cH:5][cH:6]1