HRID1203773

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID57416163

2-Methoxy-4-[2-(4-methylpiperazin-1-yl)ethyl]aniline

C14H23N3O

结构：CCOc1ccc(-c2nc3ccccn3c2-c2ccnc(Cl)n2)cc1C(=O)Nc1c(F)cccc1F

HCID59452941

未命名化合物

PRODUCTS

生成物

结构：CCOc1ccc(-c2nc3ccccn3c2-c2ccnc(Nc3ccc(CCN4CCN(C)CC4)cc3OC)n2)cc1C(=O)Nc1c(F)cccc1F

HCID59452790

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ccd08913bd414bbd9dad1e0b74d7bac1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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