HRID98217

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID8857

Ethyl acetate

C4H8O2

HCID18462

DL-10-Camphorsulfonic acid

C10H16O4S

HCID31275

1,4-Dioxane

C4H8O2

HCID413501

4-Piperidinoaniline

C11H16N2

HCID68859342

未命名化合物

PRODUCTS

生成物

结构：O=C1NCc2cnc(Nc3ccc(N4CCCCC4)cc3)nc2N1C1CCCC1

HCID68860280

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4aee53f530b04ced8121bdd711a00218
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

[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[CH:14]1([N:19]2[C:20](=[O:32])[NH:21][CH2:22][c:23]3[c:24]2[n:25][c:26]([S:29]([CH3:30])=[O:31])[n:27][cH:28]3)[CH2:15][CH2:16][CH2:17][CH2:18]1.[CH:54]([Cl:55])([Cl:56])[Cl:57].[NH2:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]2)[cH:6][cH:7]1.[O:33]=[S:34](=[O:35])([OH:36])[CH2:37][C:38]12[CH2:39][CH2:40][CH:41]([C:42]1([CH3:43])[CH3:44])[CH2:45][C:46]2=[O:47].[O:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]2)[cH:6][cH:7]1)[c:26]1[n:25][c:24]2[c:23]([cH:28][n:27]1)[CH2:22][NH:21][C:20](=[O:32])[N:19]2[CH:14]1[CH2:15][CH2:16][CH2:17][CH2:18]1