HRID1567103

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID80013

(Chloromethyl)cyclopropane

C4H7Cl

反应SMILES：FC(F)(F)c1ccc(-n2nc(N3CCNCC3)c3ccccc32)cc1

HCID15117089

未命名化合物

PRODUCTS

产物

反应SMILES：FC(F)(F)c1ccc(-n2nc(N3CCN(CC4CC4)CC3)c3ccccc32)cc1

HCID15117092

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-4361f4f2c5bd4591aeff611aad415ff4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

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