HRID1115506

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3776

Isopropanol

C3H8O

HCID10331101

4-Methoxy-3-(4-methylpiperazin-1-yl)aniline

C12H19N3O

结构：O=C(Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Cl)n2)c1)c1c(F)cccc1F

HCID59513803

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Nc2nccc(-c3c(-c4cccc(NC(=O)c5c(F)cccc5F)c4)nn4ccccc34)n2)cc1N1CCN(C)CC1

HCID11664612

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b32056dadcf346f9a766c0d61ddd2da8
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

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