HRID174764

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3776

Isopropanol

C3H8O

HCID31275

1,4-Dioxane

C4H8O2

HCID99294

3-Amino-N,N-dimethylbenzylamine

C9H14N2

结构：COc1ccc(-c2nn3ccccc3c2-c2ccnc(Cl)n2)cc1NC(=O)c1c(F)cccc1F

HCID59513745

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2nn3ccccc3c2-c2ccnc(Nc3cccc(CN(C)C)c3)n2)cc1NC(=O)c1c(F)cccc1F

HCID59513789

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c8798f5b08314b2fb5fea66cbb3f4a0d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:48]1[O:49][CH2:50][CH2:51][O:52][CH2:53]1.[CH3:36][N:37]([CH3:38])[CH2:39][c:40]1[cH:41][c:42]([NH2:43])[cH:44][cH:45][cH:46]1.[CH3:54][CH:55]([OH:56])[CH3:57].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:17]3[cH:18][cH:19][c:20]([O:34][CH3:35])[c:21]([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:22]3)[n:10][n:11]3[c:12]2[cH:13][cH:14][cH:15][cH:16]3)[n:7]1.[ClH:47]>>[c:2]1([NH:43][c:42]2[cH:41][c:40]([CH2:39][N:37]([CH3:36])[CH3:38])[cH:46][cH:45][cH:44]2)[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:17]3[cH:18][cH:19][c:20]([O:34][CH3:35])[c:21]([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:22]3)[n:10][n:11]3[c:12]2[cH:13][cH:14][cH:15][cH:16]3)[n:7]1