Bicarbonate Ion → 1-[[(6RS)-6-(N-tert-Butoxycarbonylaminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-4-[(6-chloronaphthalen-2-yl)sulfonyl]piperazine

HRID 683626Notes

Reaction equation

HRID 683626 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH:10]1[CH2:11][c:12]2[cH:13][cH:14][c:15]([CH2:20][OH:21])[cH:16][c:17]2[CH2:18][CH2:19]1.[C:60](=[O:61])([OH:62])[O-:63].[CH3:68][CH2:69][N:70]([CH2:71][CH3:72])[CH2:73][CH3:74].[Cl:40][c:41]1[cH:42][c:43]2[cH:44][cH:45][c:46]([S:51](=[O:52])(=[O:53])[N:54]3[CH2:55][CH2:56][NH:57][CH2:58][CH2:59]3)[cH:47][c:48]2[cH:49][cH:50]1.[Cl:65][CH2:66][Cl:67].[F:33][C:34]([F:35])([F:36])[C:37]([OH:38])=[O:39].[Na+:64].[O:22]=[Cr:23]([Cl:24])([O-:25])=[O:26].[nH+:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH:10]1[CH2:11][c:12]2[cH:13][cH:14][c:15]([CH2:20][N:57]3[CH2:56][CH2:55][N:54]([S:51]([c:46]4[cH:45][cH:44][c:43]5[cH:42][c:41]([Cl:40])[cH:50][cH:49][c:48]5[cH:47]4)(=[O:52])=[O:53])[CH2:59][CH2:58]3)[cH:16][c:17]2[CH2:18][CH2:19]1

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 8471TriethylamineHCID 4989215PyridiniumHCID 113588251-((6-Chloronaphthalen-2-yl)sulfonyl)piperazineHCID 22709613Tert-butyl ((6-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-2-YL)methyl)carbamateHCID 178418299HCID 178418299, compound

Product 1

HCID 227099231-[[(6RS)-6-(N-tert-Butoxycarbonylaminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-4-[(6-chloronaphthalen-2-yl)sulfonyl]piperazine

Sources & evidence

ORD record
ord-96913d5878cb4a25b6514f8e13ede03a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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