HRID2154061

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID26255

Tetrafluoroborate

BF4-

HCID130500

未命名化合物

HCID45489910

5-[(4-Ethylpiperazin-1-yl)methyl]pyridin-2-amine

C12H20N4

结构：COc1cc(OC)c(F)c(-c2ccc(C(=O)O)c3nccnc23)c1F

HCID59292834

未命名化合物

PRODUCTS

生成物

结构：CCN1CCN(Cc2ccc(NC(=O)c3ccc(-c4c(F)c(OC)cc(OC)c4F)c4nccnc34)nc2)CC1

HCID44517259

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-786e1235136542c79c9010a902a50f5d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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