HRID108061

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

HCID68999940

未命名化合物

PRODUCTS

生成物

结构：O=C(NC1CN2CCC1CC2)c1cccc2oc(C3CC3)nc12

HCID57725279

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-378d4ff08d744b61bf51f79471cbfbb9
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

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