Acetic Acid → HCID 178518747, compound

HRID 1565637Notes

Reaction equation

HRID 1565637 reaction equation
[C:37]([OH:38])(=[O:39])[CH3:40].[F:19][C:20]([c:21]1[cH:22][cH:23][c:24]([C:27]23[CH2:28][NH:29][CH2:30][CH:31]2[CH2:32]3)[cH:25][cH:26]1)([F:33])[F:34].[Na+:36].[O:1]=[c:2]1[n:3]([CH2:15][CH2:16][CH:17]=[O:18])[cH:4][c:5](-[c:9]2[n:10][cH:11][cH:12][n:13][cH:14]2)[c:6](=[O:8])[nH:7]1.[OH-:35]>>[O:1]=[c:2]1[n:3]([CH2:15][CH2:16][CH2:17][N:29]2[CH2:28][C:27]3([c:24]4[cH:23][cH:22][c:21]([C:20]([F:19])([F:33])[F:34])[cH:26][cH:25]4)[CH:31]([CH2:30]2)[CH2:32]3)[cH:4][c:5](-[c:9]2[n:10][cH:11][cH:12][n:13][cH:14]2)[c:6](=[O:8])[nH:7]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 127198481-[4-(Trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexaneHCID 58994178HCID 58994178, compound

Product 1

HCID 178518747HCID 178518747, compound

Sources & evidence

ORD record
ord-2d48178b92ec48798e990fec29efc67f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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