Dichloromethane → Trifluoroacetic acid

HRID 1544786Notes

Reaction equation

HRID 1544786 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][CH:8]([C:9](=[O:10])[N:11]1[CH:12]([CH2:34][CH:35]2[CH2:36][CH2:37]2)[C:13](=[O:33])[N:14]([CH:17]([CH2:18][c:19]2[cH:20][c:21]3[cH:22][cH:23][cH:24][cH:25][c:26]3[cH:27][cH:28]2)[C:29]([NH:30][CH3:31])=[O:32])[CH2:15][CH2:16]1)[CH2:38][c:39]1[cH:40][cH:41][c:42]([F:45])[cH:43][cH:44]1)([CH3:5])([CH3:6])[CH3:46].[CH3:54][O:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[Cl:62][CH2:63][Cl:64].[F:47][C:48]([C:49](=[O:50])[OH:51])([F:52])[F:53]>>[F:47][C:48]([C:49](=[O:50])[OH:51])([F:52])[F:53].[NH2:7][CH:8]([C:9](=[O:10])[N:11]1[CH:12]([CH2:34][CH:35]2[CH2:36][CH2:37]2)[C:13](=[O:33])[N:14]([CH:17]([CH2:18][c:19]2[cH:20][c:21]3[cH:22][cH:23][cH:24][cH:25][c:26]3[cH:27][cH:28]2)[C:29]([NH:30][CH3:31])=[O:32])[CH2:15][CH2:16]1)[CH2:38][c:39]1[cH:40][cH:41][c:42]([F:45])[cH:43][cH:44]1

Participants

6

Reactant 4

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 7519AnisoleHCID 72406548[2-[2-Cyclopropylmethyl-4-(1-methylcarbamoyl-2-naphthalen-2-yl-ethyl)-3-oxo-piperazin-1-yl]-1-(4-fluorobenzyl)-2-oxo-ethyl]-carbamic acid tert-butyl ester

Product 2

HCID 6422Trifluoroacetic acidHCID 102564532-[4-[2-amino-3-(4-fluorophenyl)-propionyl]-3-cyclopropylmethyl-2-oxo-piperazin-1-yl}-N-methyl-3-naphthalen-2-yl-propionamide

Sources & evidence

ORD record
ord-3b7fb3d8d786478fb6fdf02d9e4865f0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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