Ammonium → 2-Pyridin-4-yl-1-{4-[4-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)thiazol-2-yl]piperidin-1-yl}ethanone

HRID 292425

Reaction equation

HRID 292425 reaction equation
[BrH:1].[CH2:56]1[O:57][CH2:58][CH2:59][CH2:60]1.[CH3:2][C:3]1([CH3:26])[c:4]2[cH:5][cH:6][c:7](-[c:15]3[n:16][c:17]([CH:20]4[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]4)[s:18][cH:19]3)[cH:8][c:9]2[C:10]([CH3:13])([CH3:14])[CH2:11][CH2:12]1.[CH3:37][N:38]1[CH2:39][CH2:40][O:41][CH2:42][CH2:43]1.[Cl-:54].[NH4+:55].[OH:44][n:45]1[c:46]2[c:47]([cH:48][cH:49][cH:50][cH:51]2)[n:52][n:53]1.[n:27]1[cH:28][cH:29][c:30]([CH2:33][C:34](=[O:35])[OH:36])[cH:31][cH:32]1>>[CH3:2][C:3]1([CH3:26])[c:4]2[cH:5][cH:6][c:7](-[c:15]3[n:16][c:17]([CH:20]4[CH2:21][CH2:22][N:23]([C:34]([CH2:33][c:30]5[cH:29][cH:28][n:27][cH:32][cH:31]5)=[O:35])[CH2:24][CH2:25]4)[s:18][cH:19]3)[cH:8][c:9]2[C:10]([CH3:13])([CH3:14])[CH2:11][CH2:12]1

Participants

9

Reactant 8

HCID 223AmmoniumHCID 260Hydrogen BromideHCID 312ChlorideHCID 79724-MethylmorpholineHCID 8028TetrahydrofuranHCID 342284-Pyridineacetic acidHCID 757711-HydroxybenzotriazoleHCID 582464614-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)thiazol-2-yl]piperidine

Product 1

HCID 582464742-Pyridin-4-yl-1-{4-[4-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)thiazol-2-yl]piperidin-1-yl}ethanone

Sources & evidence

ORD record
ord-4eebcb3b3d2e4e6abeb110b2495b7bfb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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