HRID815895

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID45789991

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

C17H28N4O

HCID56655376

3-(2,5-Dichloropyrimidin-4-yl)-1H-indole

C12H7Cl2N3

PRODUCTS

生成物

结构：COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(-c2c[nH]c3ccccc23)n1

HCID56655374

5-Chloro-4-(1H-indol-3-yl)-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-2-amine

C29H34ClN7O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-60f65e513ae3466f8cd6f6c8b46afa20
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:18][O:19][c:20]1[c:21]([NH2:22])[cH:23][cH:24][c:25]([N:27]2[CH2:28][CH2:29][CH:30]([N:33]3[CH2:34][CH2:35][N:36]([CH3:39])[CH2:37][CH2:38]3)[CH2:31][CH2:32]2)[cH:26]1.[Cl:1][c:2]1[n:3][cH:4][c:5]([Cl:17])[c:6](-[c:8]2[cH:9][nH:10][c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]23)[n:7]1>>[c:2]1([NH:22][c:21]2[c:20]([O:19][CH3:18])[cH:26][c:25]([N:27]3[CH2:28][CH2:29][CH:30]([N:33]4[CH2:34][CH2:35][N:36]([CH3:39])[CH2:37][CH2:38]4)[CH2:31][CH2:32]3)[cH:24][cH:23]2)[n:3][cH:4][c:5]([Cl:17])[c:6](-[c:8]2[cH:9][nH:10][c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]23)[n:7]1