Ammonium → 3,4-Dimethyl-1-(3-tetrahydro-3-furanylpropyl)-4-(3-(1H-1,2,3-triazol-4-yl)phenyl)piperidine

HRID 284201Notes

Reaction equation

HRID 284201 reaction equation
[Al+3:59].[CH3:1][CH:2]1[CH2:3][NH:4][CH2:5][CH2:6][C:7]1([c:8]1[cH:9][c:10](-[c:14]2[n:15][n:16][nH:17][cH:18]2)[cH:11][cH:12][cH:13]1)[CH3:19].[CH3:31][N:32]([CH3:33])[CH2:34][CH2:35][CH2:36][N:37]=[C:38]=[N:39][CH2:40][CH3:41].[CH3:66][N:67]([CH3:68])[CH:69]=[O:70].[Cl-:64].[ClH:30].[H-:58].[H-:61].[H-:62].[H-:63].[Li+:60].[NH4+:65].[Na+:53].[O:20]1[CH2:21][CH:22]([CH2:25][CH2:26][C:27]([OH:28])=[O:29])[CH2:23][CH2:24]1.[O:71]1[CH2:72][CH2:73][CH2:74][CH2:75]1.[OH2:42].[OH:43][n:44]1[c:45]2[cH:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1.[OH:54][C:55](=[O:56])[O-:57]>>[CH3:1][CH:2]1[CH2:3][N:4]([CH2:27][CH2:26][CH2:25][CH:22]2[CH2:21][O:20][CH2:24][CH2:23]2)[CH2:5][CH2:6][C:7]1([c:8]1[cH:9][c:10](-[c:14]2[n:15][n:16][nH:17][cH:18]2)[cH:11][cH:12][cH:13]1)[CH3:19]

Participants

16

Reactant 15

HCID 223AmmoniumHCID 312ChlorideHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 28486Lithium ionHCID 757711-HydroxybenzotriazoleHCID 104727Aluminum CationHCID 166653Hydride4×HCID 2840903-(Oxolan-3-yl)propanoic acidHCID 178430465HCID 178430465, compound

Product 1

HCID 1784304953,4-Dimethyl-1-(3-tetrahydro-3-furanylpropyl)-4-(3-(1H-1,2,3-triazol-4-yl)phenyl)piperidine

Sources & evidence

ORD record
ord-25b609186f234618ac5ab5c5cd79d9d5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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