Hydrochloric Acid → 6-[2-(4-Bromo-phenyl)-2-oxo-ethylcarbamoyl]-5-aza-spiro[2.4]heptane-5-carboxylic acid tert-butyl ester

HRID 1217589Notes

Reaction equation

HRID 1217589 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C:10]2([CH2:11][CH2:12]2)[CH2:13][CH:14]1[C:15](=[O:16])[OH:17].[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[CH:54]([N:55]([CH2:56][CH3:57])[CH:58]([CH3:59])[CH3:60])([CH3:61])[CH3:62].[ClH:53].[NH2:42][CH2:43][C:44](=[O:45])[c:46]1[cH:47][cH:48][c:49]([Br:52])[cH:50][cH:51]1.[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[P-:18]([F:19])([F:20])([F:21])([F:22])([F:23])[F:24].[n:25]1([O:26][C:27]([N:28]([CH3:29])[CH3:30])=[N+:31]([CH3:32])[CH3:33])[c:34]2[n:35][cH:36][cH:37][cH:38][c:39]2[n:40][n:41]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C:10]2([CH2:11][CH2:12]2)[CH2:13][CH:14]1[C:15](=[O:17])[NH:42][CH2:43][C:44](=[O:45])[c:46]1[cH:47][cH:48][c:49]([Br:52])[cH:50][cH:51]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 216392-Amino-1-(4-bromophenyl)ethanoneHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 666205945-Azaspiro[2.4]heptane-5,6-dicarboxylic acid, 5-(1,1-dimethylethyl) ester

Product 1

HCID 666202116-[2-(4-Bromo-phenyl)-2-oxo-ethylcarbamoyl]-5-aza-spiro[2.4]heptane-5-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-8c90a01498df4d72bb3c5a6260eea510
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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