Dichloromethane → Trifluoroacetic acid

HRID 1216611Notes

Reaction equation

HRID 1216611 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][C:8]([CH3:9])([CH3:10])[C:11]([NH:12][CH:13]([C:14](=[O:15])[N:16]1[CH:17]([CH2:39][CH:40]2[CH2:41][CH2:42]2)[C:18](=[O:38])[N:19]([CH:22]([CH2:23][c:24]2[cH:25][c:26]3[cH:27][cH:28][cH:29][cH:30][c:31]3[cH:32][cH:33]2)[C:34]([NH:35][CH3:36])=[O:37])[CH2:20][CH2:21]1)[CH2:43][c:44]1[cH:45][cH:46][c:47]([F:50])[cH:48][cH:49]1)=[O:51])([CH3:5])([CH3:6])[CH3:52].[CH3:60][O:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[Cl:68][CH2:69][Cl:70].[F:53][C:54]([C:55](=[O:56])[OH:57])([F:58])[F:59]>>[F:53][C:54]([C:55](=[O:56])[OH:57])([F:58])[F:59].[NH2:7][C:8]([CH3:9])([CH3:10])[C:11]([NH:12][CH:13]([C:14](=[O:15])[N:16]1[CH:17]([CH2:39][CH:40]2[CH2:41][CH2:42]2)[C:18](=[O:38])[N:19]([CH:22]([CH2:23][c:24]2[cH:25][c:26]3[cH:27][cH:28][cH:29][cH:30][c:31]3[cH:32][cH:33]2)[C:34]([NH:35][CH3:36])=[O:37])[CH2:20][CH2:21]1)[CH2:43][c:44]1[cH:45][cH:46][c:47]([F:50])[cH:48][cH:49]1)=[O:51]

Participants

6

Reactant 4

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 7519AnisoleHCID 69588085{1-[2-[2-Cyclopropylmethyl-4-(1-methylcarbamoyl-2-naphthalen-2-yl-ethyl)-3-oxo-piperazin-1-yl]-1-(4-fluorobenzyl)-2-oxo-ethylcarbamoyl]-1-methyl-ethyl}-carbamic acid tert-butyl ester

Product 2

HCID 6422Trifluoroacetic acidHCID 103940312-amino-N-[1-[2-(cyclopropylmethyl)-4-[1-(methylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-3-oxopiperazin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-2-methylpropanamide

Sources & evidence

ORD record
ord-a5e8efa8d8d0412c90ecac334c7a9352
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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