Trifluoroacetic acid → N-[[4-[(6-chloronaphthalen-2-yl)sulfonyl]-1-[(6-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)carbonyl]piperazin-2-yl]carbonyl]glycine ethyl ester

HRID 1222994Notes

Reaction equation

HRID 1222994 reaction equation
[CH2:22]([CH3:23])[O:24][C:25]([CH2:26][NH:27][C:28](=[O:29])[CH:30]1[CH2:31][N:32]([S:36](=[O:37])(=[O:38])[c:39]2[cH:40][c:41]3[cH:42][cH:43][c:44]([Cl:49])[cH:45][c:46]3[cH:47][cH:48]2)[CH2:33][CH2:34][NH:35]1)=[O:50].[CH3:1][CH:2]1[CH2:3][c:4]2[c:5]([s:8][c:9]([C:11](=[O:12])[O-:13])[n:10]2)[CH2:6][NH:7]1.[F:15][C:16]([F:17])([F:18])[C:19]([OH:20])=[O:21].[Li+:14]>>[CH3:1][CH:2]1[CH2:3][c:4]2[c:5]([s:8][c:9]([C:11](=[O:13])[N:35]3[CH:30]([C:28]([NH:27][CH2:26][C:25]([O:24][CH2:22][CH3:23])=[O:50])=[O:29])[CH2:31][N:32]([S:36](=[O:37])(=[O:38])[c:39]4[cH:40][c:41]5[cH:42][cH:43][c:44]([Cl:49])[cH:45][c:46]5[cH:47][cH:48]4)[CH2:33][CH2:34]3)[n:10]2)[CH2:6][NH:7]1

Participants

5

Reactant 4

HCID 6422Trifluoroacetic acidHCID 28486Lithium ionHCID 22710158Ethyl 2-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-2-carbonyl]amino]acetateHCID 178422316HCID 178422316, compound

Product 1

HCID 22709851N-[[4-[(6-chloronaphthalen-2-yl)sulfonyl]-1-[(6-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)carbonyl]piperazin-2-yl]carbonyl]glycine ethyl ester

Sources & evidence

ORD record
ord-9b9fe34a38394c6e95cc00097c6f3ceb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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