Hydrochloric Acid → {1-[2-(4-Bromo-phenyl)-2-oxo-ethylcarbamoyl]-cyclopropyl}-carbamic acid tert-butyl ester

HRID 1206316Notes

Reaction equation

HRID 1206316 reaction equation
[C:13]([CH3:14])([CH3:15])([CH3:16])[O:17][C:18](=[O:19])[NH:20][C:21]1([C:24](=[O:25])[OH:26])[CH2:22][CH2:23]1.[CH:51]([N:52]([CH2:53][CH3:54])[CH:55]([CH3:56])[CH3:57])([CH3:58])[CH3:59].[ClH:12].[NH2:1][CH2:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([Br:11])[cH:9][cH:10]1.[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[P-:27]([F:28])([F:29])([F:30])([F:31])([F:32])[F:33].[n:34]1([O:35][C:36]([N:37]([CH3:38])[CH3:39])=[N+:40]([CH3:41])[CH3:42])[c:43]2[n:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[NH:1]([CH2:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([Br:11])[cH:9][cH:10]1)[C:24]([C:21]1([NH:20][C:18]([O:17][C:13]([CH3:14])([CH3:15])[CH3:16])=[O:19])[CH2:22][CH2:23]1)=[O:25]

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 216392-Amino-1-(4-bromophenyl)ethanoneHCID 81531DiisopropylethylamineHCID 6883961-((tert-Butoxycarbonyl)amino)cyclopropanecarboxylic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium

Product 1

HCID 66620021{1-[2-(4-Bromo-phenyl)-2-oxo-ethylcarbamoyl]-cyclopropyl}-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-72e10b38d8884d6eab77c821acd705bf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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