HRID319892

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

3 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID123238

1-Azabicyclo[2.2.2]octan-3-amine

C7H14N2

HCID67655907

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1nc2c(C(=O)NC3CN4CCC3CC4)cccc2o1

HCID57725286

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5a31a24dc537460b9a4dae6a167d5695
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[o:6][c:7]2[c:8]([n:9]1)[c:10]([C:14](=[O:15])[OH:16])[cH:11][cH:12][cH:13]2.[CH2:29]([N:30]=[C:31]=[N:32][CH2:33][CH2:34][CH2:35][N:36]([CH3:37])[CH3:38])[CH3:39].[CH3:50][CH2:51][N:52]([CH2:53][CH3:54])[CH2:55][CH3:56].[Cl:62][CH2:63][Cl:64].[ClH:17].[ClH:18].[ClH:28].[NH2:19][CH:20]1[CH2:21][N:22]2[CH2:23][CH2:24][CH:25]1[CH2:26][CH2:27]2.[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[OH:40][n:41]1[c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[o:6][c:7]2[c:8]([n:9]1)[c:10]([C:14](=[O:16])[NH:19][CH:20]1[CH2:21][N:22]3[CH2:23][CH2:24][CH:25]1[CH2:26][CH2:27]3)[cH:11][cH:12][cH:13]2