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1,2-Dichloroethane → 1-Methylsulfonyl-4-[[3-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methyl]piperazine

HRID 1216326
Notes
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Reaction equation

HRID 1216326 reaction equation
[CH3:33][c:34]1[c:35]([CH3:36])[n:37][cH:38][cH:39][c:40]1[NH2:41].[CH3:42][S:43](=[O:44])(=[O:45])[Cl:46].[CH3:52][CH2:53][O:54][C:55]([CH3:56])=[O:57].[CH:24]([N:25]([CH:26]([CH3:27])[CH3:28])[CH2:29][CH3:30])([CH3:31])[CH3:32].[Cl:48][CH2:49][CH2:50][Cl:51].[ClH:47].[N:1]1([CH2:6][c:7]2[cH:8][cH:9][c:10]([CH:13]3[CH2:14][CH:15]([CH2:17][N:18]4[CH2:19][CH2:20][NH:21][CH2:22][CH2:23]4)[CH2:16]3)[cH:11][cH:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1>>[N:1]1([CH2:6][c:7]2[cH:8][cH:9][c:10]([CH:13]3[CH2:14][CH:15]([CH2:17][N:18]4[CH2:19][CH2:20][N:21]([S:43]([CH3:42])(=[O:44])=[O:45])[CH2:22][CH2:23]4)[CH2:16]3)[cH:11][cH:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 8857Ethyl AcetateHCID 31297Methanesulfonyl chlorideHCID 81531DiisopropylethylamineHCID 73304712,3-Dimethylpyridin-4-amineHCID 11426991
(3-(4-Pyrrolidin-1-ylmethyl-phenyl)-cyclobutylmethyl]-piperazine

Product 1

HCID 219348791-Methylsulfonyl-4-[[3-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methyl]piperazine

Sources & evidence

ORD record
ord-fefe6eb854e346d7a45f53d207ff1845
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes