HRID281399

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID3283

Diethyl Ether

C4H10O

HCID7993

3-(Dimethylamino)propylamine

C5H14N2

HCID8028

Tetrahydrofuran

C4H8O

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID57780910

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：Cc1nc(-c2cccc(Nc3nccc(NCCCN(C)C)n3)c2)cs1

HCID44196870

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-23a55c29a73343ecbea02c777947cf16
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

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