HRID89047

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID82129

Carbonochloridic acid, 4-nitrophenyl ester

C7H4ClNO4

HCID2734637

1-(2,4-difluorophenyl)piperazine

C10H12F2N2

HCID2779170

(1,4-dimethylpiperazin-2-yl)methanol

C7H16N2O

PRODUCTS

生成物

结构：CN1CCN(C)C(COC(=O)N2CCN(c3ccc(F)cc3F)CC2)C1

HCID178480882

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a26d7996e1046d29b795d5089a4b786
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

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