HRID140711

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

结构：CCC(c1nc2onc(C)c2c(=O)n1Cc1ccccc1)N(CCCNC(=O)OC(C)(C)C)C(=O)c1ccc(C)cc1

HCID68827326

未命名化合物

PRODUCTS

生成物

结构：CCC(c1nc2onc(C)c2c(=O)n1Cc1ccccc1)N(CCCN)C(=O)c1ccc(C)cc1

HCID9826132

N-(3-Aminopropyl)-N-[1-[4,5-dihydro-3-methyl-4-oxo-5-(phenylmethyl)isoxazolo[5,4-d]pyrimidin-6-yl]propyl]-4-methylbenzamide

C27H31N5O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce500b23c0e0422d8eb56ded11f62145
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1]([O:2][C:3](=[O:4])[NH:7][CH2:8][CH2:9][CH2:10][N:11]([C:12]([c:13]1[cH:14][cH:15][c:16]([CH3:19])[cH:17][cH:18]1)=[O:20])[CH:21]([CH2:22][CH3:23])[c:24]1[n:25]([CH2:35][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:26](=[O:34])[c:27]2[c:28]([n:29]1)[o:30][n:31][c:32]2[CH3:33])([CH3:5])([CH3:6])[CH3:42].[Cl:50][CH2:51][Cl:52].[F:43][C:44]([F:45])([F:46])[C:47]([OH:48])=[O:49]>>[NH2:7][CH2:8][CH2:9][CH2:10][N:11]([C:12]([c:13]1[cH:14][cH:15][c:16]([CH3:19])[cH:17][cH:18]1)=[O:20])[CH:21]([CH2:22][CH3:23])[c:24]1[n:25]([CH2:35][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:26](=[O:34])[c:27]2[c:28]([n:29]1)[o:30][n:31][c:32]2[CH3:33]