Water → N-[4-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-4-oxobutan-2-yl]-3-(2H-tetrazol-5-yl)benzamide

HRID 666789Notes

Reaction equation

HRID 666789 reaction equation
[CH2:1]([O:2][CH2:3][n:10]1[n:11][c:12](-[c:15]2[cH:16][c:17]([C:18](=[O:19])[NH:20][CH:21]([CH3:22])[CH2:23][C:24](=[O:25])[N:26]3[CH2:27][C:28]([CH3:40])([CH3:41])[C:29]([OH:32])([c:33]4[cH:34][cH:35][c:36]([Cl:39])[cH:37][cH:38]4)[CH2:30][CH2:31]3)[cH:42][cH:43][cH:44]2)[n:13][n:14]1)[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1.[CH3:53][C:54]#[N:55].[F:45][C:46]([F:47])([F:48])[C:49]([OH:50])=[O:51].[OH2:52]>>[n:10]1[n:11][c:12](-[c:15]2[cH:16][c:17]([C:18](=[O:19])[NH:20][CH:21]([CH3:22])[CH2:23][C:24](=[O:25])[N:26]3[CH2:27][C:28]([CH3:40])([CH3:41])[C:29]([OH:32])([c:33]4[cH:34][cH:35][c:36]([Cl:39])[cH:37][cH:38]4)[CH2:30][CH2:31]3)[cH:42][cH:43][cH:44]2)[n:13][nH:14]1

Participants

5

Reactant 4

HCID 962WaterHCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 68483452HCID 68483452, compound

Product 1

HCID 68481811N-[4-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-4-oxobutan-2-yl]-3-(2H-tetrazol-5-yl)benzamide

Sources & evidence

ORD record
ord-4c2c2b1bfc614d7882a08389d63c8655
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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