Hydrochloric Acid → HCID 178439087, compound

HRID 1140685Notes

Reaction equation

HRID 1140685 reaction equation
[CH:23]([CH3:24])([CH3:25])[c:26]1[cH:27][c:28]([CH2:29][NH2:30])[cH:31][cH:32][cH:33]1.[CH:34]([OH:35])([CH3:36])[CH3:37].[ClH:22].[F:1][c:2]1[cH:3][c:4]([CH2:9][CH:10]([CH:11]2[O:12][CH2:13]2)[NH:14][C:15]([O:16][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:21])[cH:5][c:6]([F:8])[cH:7]1>>[F:1][c:2]1[cH:3][c:4]([CH2:9][CH:10]([CH:11]([OH:12])[CH2:13][NH:30][CH2:29][c:28]2[cH:27][c:26]([CH:23]([CH3:24])[CH3:25])[cH:33][cH:32][cH:31]2)[NH:14][C:15]([O:16][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:21])[cH:5][c:6]([F:8])[cH:7]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 3776IsopropanolHCID 20726936Carbamic acid, [(1S)-2-(3,5-difluorophenyl)-1-(2R)-oxiranylethyl]-,1,1-dimethylethyl esterHCID 21085835(3-propan-2-ylphenyl)methanamine

Product 1

HCID 178439087HCID 178439087, compound

Sources & evidence

ORD record
ord-1daa2c92a43b4783ae1408fab0fdb0f4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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