Acetic Acid → HCID 178423872, compound

HRID 1148585Notes

Reaction equation

HRID 1148585 reaction equation
[C:39]([OH:40])(=[O:41])[CH3:42].[F:1][c:2]1[n:3][c:4]([CH3:20])[cH:5][cH:6][c:7]1-[c:8]1[c:9](=[O:19])[nH:10][c:11](=[O:18])[n:12]([CH2:14][CH2:15][CH:16]=[O:17])[cH:13]1.[F:21][C:22]([c:23]1[cH:24][cH:25][c:26]([C:29]23[CH2:30][NH:31][CH2:32][CH:33]2[CH2:34]3)[cH:27][cH:28]1)([F:35])[F:36].[Na+:38].[OH-:37]>>[F:1][c:2]1[n:3][c:4]([CH3:20])[cH:5][cH:6][c:7]1-[c:8]1[c:9](=[O:19])[nH:10][c:11](=[O:18])[n:12]([CH2:14][CH2:15][CH2:16][N:31]2[CH2:30][C:29]3([c:26]4[cH:25][cH:24][c:23]([C:22]([F:21])([F:35])[F:36])[cH:28][cH:27]4)[CH:33]([CH2:32]2)[CH2:34]3)[cH:13]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 127198481-[4-(Trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexaneHCID 58994146HCID 58994146, compound

Product 1

HCID 178423872HCID 178423872, compound

Sources & evidence

ORD record
ord-28209cfb183147cca169105db1b0f837
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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