HRID676424

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID6367

Acetyl chloride

C2H3ClO

HCID8471

Triethylamine

C6H15N

反应SMILES：c1ccc2nc(N3CC(Oc4ncncc4C4CCNCC4)C3)ccc2c1

HCID67477417

未命名化合物

PRODUCTS

产物

反应SMILES：CC(=O)N1CCC(c2cncnc2OC2CN(c3ccc4ccccc4n3)C2)CC1

HCID54670955

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-19a7bf26b9c5431f815953e4fc9e80ae
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:36][C:37]([Cl:38])=[O:39].[CH3:41][C:42]#[N:43].[Cl:44][CH2:45][Cl:46].[ClH:1].[NH:2]1[CH2:3][CH2:4][CH:5]([c:8]2[c:9]([O:14][CH:15]3[CH2:16][N:17]([c:19]4[n:20][c:21]5[cH:22][cH:23][cH:24][cH:25][c:26]5[cH:27][cH:28]4)[CH2:18]3)[n:10][cH:11][n:12][cH:13]2)[CH2:6][CH2:7]1.[OH2:40]>>[N:2]1([C:37]([CH3:36])=[O:39])[CH2:3][CH2:4][CH:5]([c:8]2[c:9]([O:14][CH:15]3[CH2:16][N:17]([c:19]4[n:20][c:21]5[cH:22][cH:23][cH:24][cH:25][c:26]5[cH:27][cH:28]4)[CH2:18]3)[n:10][cH:11][n:12][cH:13]2)[CH2:6][CH2:7]1