Hydrochloric Acid → Methyl 4-[2-amino-2-(4-fluoro-3-propan-2-yloxyphenyl)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]benzoate

HRID 684918Notes

Reaction equation

HRID 684918 reaction equation
[CH3:41][OH:42].[ClH:40].[F:1][c:2]1[c:3]([O:36][CH:37]([CH3:38])[CH3:39])[cH:4][c:5]([C:8]([CH2:9][c:10]2[cH:11][cH:12][c:13]([C:14](=[O:15])[O:16][CH3:17])[cH:18][cH:19]2)([N+:20]#[C-:21])[c:22]2[cH:23][c:24]([F:35])[cH:25][c:26]([O:28][C:29]([CH:30]([F:31])[F:32])([F:33])[F:34])[cH:27]2)[cH:6][cH:7]1.[O:43]1[CH2:44][CH2:45][O:46][CH2:47][CH2:48]1>>[F:1][c:2]1[c:3]([O:36][CH:37]([CH3:38])[CH3:39])[cH:4][c:5]([C:8]([CH2:9][c:10]2[cH:11][cH:12][c:13]([C:14](=[O:15])[O:16][CH3:17])[cH:18][cH:19]2)([NH2:20])[c:22]2[cH:23][c:24]([F:35])[cH:25][c:26]([O:28][C:29]([CH:30]([F:31])[F:32])([F:33])[F:34])[cH:27]2)[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 887MethanolHCID 312751,4-DioxaneHCID 72290934Racemic (+/-)-methyl 4-(2-(4-fluoro-3-isopropoxyphenyl)-2-(3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl)-2-isocyanoethyl)benzoate

Product 1

HCID 72291051Methyl 4-[2-amino-2-(4-fluoro-3-propan-2-yloxyphenyl)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]benzoate

Sources & evidence

ORD record
ord-03f75782fb414e0ab6bd7f2e4e040f46
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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