HRID98981

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7900

1-Methoxy-2-propanol

C4H10O2

HCID81531

Diisopropylethylamine

C8H19N

HCID16773218

(3-Aminophenyl)(4-methylpiperazin-1-yl)methanone

C12H17N3O

HCID66710791

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1-c1ccc2cnc(Nc3cccc(C(=O)N4CCN(C)CC4)c3)nn12

HCID66711194

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7dcc314ccbab46aea6fa04ffc1b4bc25
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:1][S:2](=[O:3])[c:4]1[n:5][n:6]2[c:7]([cH:8][n:9]1)[cH:10][cH:11][c:12]2-[c:13]1[c:14]([O:19][CH3:20])[cH:15][cH:16][cH:17][cH:18]1.[CH3:46][O:47][CH2:48][CH:49]([OH:50])[CH3:51].[CH:21]([N:22]([CH2:23][CH3:24])[CH:25]([CH3:26])[CH3:27])([CH3:28])[CH3:29].[NH2:30][c:31]1[cH:32][c:33]([C:37](=[O:38])[N:39]2[CH2:40][CH2:41][N:42]([CH3:45])[CH2:43][CH2:44]2)[cH:34][cH:35][cH:36]1>>[c:4]1([NH:30][c:31]2[cH:32][c:33]([C:37](=[O:38])[N:39]3[CH2:40][CH2:41][N:42]([CH3:45])[CH2:43][CH2:44]3)[cH:34][cH:35][cH:36]2)[n:5][n:6]2[c:7]([cH:8][n:9]1)[cH:10][cH:11][c:12]2-[c:13]1[c:14]([O:19][CH3:20])[cH:15][cH:16][cH:17][cH:18]1