Dichloromethane → 3,5-Dimethyl-isoxazole-4-sulfonic acid 7-(piperidin-4-ylmethyl-propyl-amino)-5,6,7,8-tetrahydro-naphthalen-2-yl ester

HRID 688029Notes

Reaction equation

HRID 688029 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][CH:11]([CH2:14][N:15]([CH2:16][CH2:17][CH3:18])[CH:19]2[CH2:20][c:21]3[cH:22][c:23]([O:29][S:30](=[O:31])(=[O:32])[c:33]4[c:34]([CH3:39])[n:35][o:36][c:37]4[CH3:38])[cH:24][cH:25][c:26]3[CH2:27][CH2:28]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[CH2:47]([Cl:48])[Cl:49].[OH:40][C:41]([C:42]([F:43])([F:44])[F:45])=[O:46]>>[NH:8]1[CH2:9][CH2:10][CH:11]([CH2:14][N:15]([CH2:16][CH2:17][CH3:18])[CH:19]2[CH2:20][c:21]3[cH:22][c:23]([O:29][S:30](=[O:31])(=[O:32])[c:33]4[c:34]([CH3:39])[n:35][o:36][c:37]4[CH3:38])[cH:24][cH:25][c:26]3[CH2:27][CH2:28]2)[CH2:12][CH2:13]1

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 865890914-({[7-(3,5-Dimethyl-isoxazole-4-sulfonyloxy)-1,2,3,4-tetrahydro-naphthalen-2-yl]-propyl-amino}-methyl)-piperidine-1-carboxylic acid tert-butyl ester

Product 1

HCID 213627933,5-Dimethyl-isoxazole-4-sulfonic acid 7-(piperidin-4-ylmethyl-propyl-amino)-5,6,7,8-tetrahydro-naphthalen-2-yl ester

Sources & evidence

ORD record
ord-8142770922164fc5b6681116eb28f70e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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