Hydrochloric Acid → 3-[2-(4-Bromo-phenyl)-2-oxo-ethylcarbamoyl]-pyrrolidine-1-carboxylic acid tert-butyl ester

HRID 2336686Notes

Reaction equation

HRID 2336686 reaction equation
[C:10]([CH3:11])([CH3:12])([CH3:13])[O:14][C:15](=[O:16])[N:17]1[CH2:18][CH:19]([C:22](=[O:23])[OH:24])[CH2:20][CH2:21]1.[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:49].[NH2:50][CH2:51][C:52](=[O:53])[c:54]1[cH:55][cH:56][c:57]([Br:60])[cH:58][cH:59]1.[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[P-:25]([F:26])([F:27])([F:28])([F:29])([F:30])[F:31].[n:32]1([O:33][C:34]([N:35]([CH3:36])[CH3:37])=[N+:38]([CH3:39])[CH3:40])[c:41]2[n:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[C:10]([CH3:11])([CH3:12])([CH3:13])[O:14][C:15](=[O:16])[N:17]1[CH2:18][CH:19]([C:22](=[O:24])[NH:50][CH2:51][C:52](=[O:53])[c:54]2[cH:55][cH:56][c:57]([Br:60])[cH:58][cH:59]2)[CH2:20][CH2:21]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 216392-Amino-1-(4-bromophenyl)ethanoneHCID 81531DiisopropylethylamineHCID 27605291-((Tert-butoxy)carbonyl)pyrrolidine-3-carboxylic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium

Product 1

HCID 596115123-[2-(4-Bromo-phenyl)-2-oxo-ethylcarbamoyl]-pyrrolidine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-eaa7efda7d9e4dbc9b0ff3bf06e75650
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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