Hydrochloric Acid → 4-Isobutoxy-1H-indole-2-carboxylic acid {1-[2-(3-hydroxy-8-aza-bicyclo[3.2.1]oct-8-yl)-ethyl]-piperidin-4-yl}-amide

HRID 2325544Notes

Reaction equation

HRID 2325544 reaction equation
[ClH:33].[ClH:34].[ClH:35].[N:1]1([CH2:2][CH2:3][N:4]2[CH2:5][CH2:6][CH:7]([NH:8][C:17](=[O:18])[c:19]3[nH:20][c:21]4[cH:22][cH:23][cH:24][c:25]([O:28][CH2:29][CH:30]([CH3:31])[CH3:32])[c:26]4[cH:27]3)[CH2:9][CH2:10]2)[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]1.[NH2:36][CH:37]1[CH2:38][CH2:39][N:40]([CH2:43][CH2:44][N:45]2[CH:46]3[CH2:47][CH:48]([OH:53])[CH2:49][CH:50]2[CH2:51][CH2:52]3)[CH2:41][CH2:42]1>>[C:17](=[O:18])([c:19]1[nH:20][c:21]2[cH:22][cH:23][cH:24][c:25]([O:28][CH2:29][CH:30]([CH3:31])[CH3:32])[c:26]2[cH:27]1)[NH:36][CH:37]1[CH2:38][CH2:39][N:40]([CH2:43][CH2:44][N:45]2[CH:46]3[CH2:47][CH:48]([OH:53])[CH2:49][CH:50]2[CH2:51][CH2:52]3)[CH2:41][CH2:42]1

Participants

4

Reactant 3

HCID 313Hydrochloric Acid3×HCID 114420474-Isobutoxy-1H-indole-2-carboxylic acid [1-(2-azepan-1-yl-ethyl)-piperidin-4-yl]-amideHCID 596001408-[2-(4-Aminopiperidin-1-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol

Product 1

HCID 113173264-Isobutoxy-1H-indole-2-carboxylic acid {1-[2-(3-hydroxy-8-aza-bicyclo[3.2.1]oct-8-yl)-ethyl]-piperidin-4-yl}-amide

Sources & evidence

ORD record
ord-133ee54862fa450b962bcc2aa520839f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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