Hydrochloric Acid → HCID 69273176, compound

HRID 91148Notes

Reaction equation

[CH3:53][OH:54].[ClH:46].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([NH:9][C:10]([O:11][CH2:12][C:13]2([C:32]([NH:33][CH2:34][c:35]3[c:36]([Cl:41])[cH:37][cH:38][cH:39][cH:40]3)=[O:42])[CH2:14][CH2:15][N:16]([C:19]([CH:20]([CH2:21][OH:22])[NH:23][C:24]([O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])=[O:31])[CH2:17][CH2:18]2)=[O:43])[cH:7][cH:8]1)([F:44])[F:45].[O:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([NH:9][C:10]([O:11][CH2:12][C:13]2([C:32]([NH:33][CH2:34][c:35]3[c:36]([Cl:41])[cH:37][cH:38][cH:39][cH:40]3)=[O:42])[CH2:14][CH2:15][N:16]([C:19]([CH:20]([CH2:21][OH:22])[NH2:23])=[O:31])[CH2:17][CH2:18]2)=[O:43])[cH:7][cH:8]1)([F:44])[F:45]

Participants

Reactant 4

HCID 313Hydrochloric Acid

HCID 887Methanol

HCID 312751,4-Dioxane

HCID 69270962tert-butyl N-[1-[4-[(2-chlorophenyl)methylcarbamoyl]-4-[[4-(trifluoromethyl)phenyl]carbamoyloxymethyl]piperidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]carbamate

Product 1

HCID 69273176HCID 69273176, compound

Sources & evidence

ORD record: ord-85978e56340e4b9a981d34249ffdab55
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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