HRID313706

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8019

2-Methoxyethanol

C3H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID45789991

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

C17H28N4O

HCID58071307

未命名化合物

PRODUCTS

生成物

结构：COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc2ccc(Br)n2n1

HCID66711255

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e2ed1c59f96437ab7ad67cdd32fff53
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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