Dichloromethane → Trifluoroacetic acid

HRID 698236Notes

Reaction equation

HRID 698236 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][CH:8]1[CH2:9][N:10]([CH:12]2[CH2:13][CH:14]=[C:15]([c:18]3[cH:19][c:20]4[c:21]([cH:25][cH:26]3)[O:22][CH2:23][O:24]4)[CH2:16][CH2:17]2)[CH2:11]1)([CH3:5])([CH3:6])[CH3:27].[Cl:35][CH2:36][Cl:37].[F:28][C:29]([C:30](=[O:31])[OH:32])([F:33])[F:34]>>[F:28][C:29]([C:30](=[O:31])[OH:32])([F:33])[F:34].[NH2:7][CH:8]1[CH2:9][N:10]([CH:12]2[CH2:13][CH:14]=[C:15]([c:18]3[cH:19][c:20]4[c:21]([cH:25][cH:26]3)[O:22][CH2:23][O:24]4)[CH2:16][CH2:17]2)[CH2:11]1

Participants

5

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 59541968[1-(4-Benzo[1,3]dioxol-5-yl-cyclohex-3-enyl)-azetidin-3-yl]-carbamic acid tert-butyl ester

Product 2

HCID 6422Trifluoroacetic acidHCID 595419931-[4-(1,3-Benzodioxol-5-yl)cyclohex-3-en-1-yl]azetidin-3-amine

Sources & evidence

ORD record
ord-7fc3ca5447d5457b8b96da11723d3d70
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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