HRID178105

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8150

Diethylene glycol dimethyl ether

C6H14O3

HCID79208

3-(4-Methyl-1-piperazine)propan-1-ol

C8H18N2O

HCID4574913

未命名化合物

结构：CC(C)(C)OCCN1CCC(Oc2cc(F)cc3nc[nH]c(=O)c23)CC1

HCID136351952

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(CCCOc2cc(OC3CCN(CCOC(C)(C)C)CC3)c3c(=O)[nH]cnc3c2)CC1

HCID136351951

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6332ddae23b3404d98e6d6124af76c28
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][CH2:6][CH2:7][N:8]1[CH2:9][CH2:10][CH:11]([O:14][c:15]2[c:16]3[c:17](=[O:26])[nH:18][cH:19][n:20][c:21]3[cH:22][c:23]([F:25])[cH:24]2)[CH2:12][CH2:13]1.[CH3:27][N:28]1[CH2:29][CH2:30][N:31]([CH2:34][CH2:35][CH2:36][OH:37])[CH2:32][CH2:33]1.[CH3:38][C:39]([CH3:40])([O-:41])[CH3:42].[CH3:44][O:45][CH2:46][CH2:47][O:48][CH2:49][CH2:50][O:51][CH3:52].[Cl:53][CH2:54][Cl:55].[K+:43].[OH2:56]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][CH2:6][CH2:7][N:8]1[CH2:9][CH2:10][CH:11]([O:14][c:15]2[c:16]3[c:17](=[O:26])[nH:18][cH:19][n:20][c:21]3[cH:22][c:23]([O:37][CH2:36][CH2:35][CH2:34][N:31]3[CH2:30][CH2:29][N:28]([CH3:27])[CH2:33][CH2:32]3)[cH:24]2)[CH2:12][CH2:13]1