HRID1552246

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：CC(C)Oc1ccc(-c2nc3ccccn3c2-c2ccnc(Cl)n2)cc1C(=O)Nc1c(F)cccc1F

HCID59452852

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CCN2CCN(C)CC2)ccc1Nc1nccc(-c2c(-c3ccc(OC(C)C)c(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1

HCID59452679

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7241cdb2903849b9b8d4e1292c8a930f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:38][O:39][c:40]1[c:41]([NH2:42])[cH:43][cH:44][c:45]([CH2:47][CH2:48][N:49]2[CH2:50][CH2:51][N:52]([CH3:55])[CH2:53][CH2:54]2)[cH:46]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][CH:35]([CH3:36])[CH3:37])[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:42][c:41]2[c:40]([O:39][CH3:38])[cH:46][c:45]([CH2:47][CH2:48][N:49]3[CH2:50][CH2:51][N:52]([CH3:55])[CH2:53][CH2:54]3)[cH:44][cH:43]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][CH:35]([CH3:36])[CH3:37])[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