Dichloromethane → (7-Nitro-1,2,3,4-tetrahydro-naphthalen-2-yl)-piperidin-4-ylmethyl-propyl-amine

HRID 2337582Notes

Reaction equation

HRID 2337582 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]([N+:29](=[O:30])[O-:31])[cH:24][cH:25][c:26]3[CH2:27][CH2:28]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[CH2:78]([Cl:79])[Cl:80].[CH:32]([NH:33][C:34]([N:35]1[CH2:36][CH2:37][CH:38]([CH2:39][N:40]([CH2:41][CH3:42])[CH:43]2[CH2:44][CH2:45][c:46]3[c:47]([cH:48][c:49]([NH:50][C:51](=[O:52])[c:53]4[cH:54][cH:55][c:56]([S:57]([CH3:58])(=[O:59])=[O:60])[cH:61][cH:62]4)[cH:63][cH:64]3)[CH2:65]2)[CH2:66][CH2:67]1)=[O:68])([CH3:69])[CH3:70].[OH:71][C:72]([C:73]([F:74])([F:75])[F:76])=[O:77]>>[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]([N+:29](=[O:30])[O-:31])[cH:24][cH:25][c:26]3[CH2:27][CH2:28]2)[CH2:12][CH2:13]1

Participants

5

Reactant 4

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 113074364-({Ethyl-[7-(4-methanesulfonyl-benzoylamino)-1,2,3,4-tetrahydro-naphthalen-2-yl]-amino}-methyl)-piperidine-1-carboxylic acid isopropylamideHCID 686245334-{[(7-Nitro-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-amino]-methyl}-piperidine-1-carboxylic acid tert-butyl ester

Product 1

HCID 22560628(7-Nitro-1,2,3,4-tetrahydro-naphthalen-2-yl)-piperidin-4-ylmethyl-propyl-amine

Sources & evidence

ORD record
ord-3284e230c40149748ab8e1113d03978c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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