HRID310722

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID82129

Carbonochloridic acid, 4-nitrophenyl ester

C7H4ClNO4

HCID796563

1-(4-Fluorobenzyl)piperazine

C11H15FN2

HCID13949887

(4-Methylmorpholin-2-yl)methanol

C6H13NO2

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

2 次

结构：CN1CCOC(COC(=O)N2CCN(Cc3ccc(F)cc3)CC2)C1

HCID42634356

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b72970a957a4d34a34bfb4bd33346ad
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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