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

HRID 305590Notes

Reaction equation

HRID 305590 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][C:13]2([CH2:14][CH2:15]2)[CH2:16][CH:17]1[C:18](=[O:19])[OH:20].[CH3:69][OH:70].[CH3:71][CH2:72][O:73][C:74]([CH3:75])=[O:76].[CH:60]([N:61]([CH2:62][CH3:63])[CH:64]([CH3:65])[CH3:66])([CH3:67])[CH3:68].[ClH:23].[ClH:24].[Li+:22].[NH2:25][CH2:26][C:27](=[O:28])[c:29]1[cH:30][cH:31][c:32]([Br:35])[cH:33][cH:34]1.[O:77]=[CH:78][N:79]([CH3:80])[CH3:81].[OH-:21].[P-:36]([F:37])([F:38])([F:39])([F:40])([F:41])[F:42].[n:43]1([O:44][C:45]([N:46]([CH3:47])[CH3:48])=[N+:49]([CH3:50])[CH3:51])[c:52]2[n:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][C:13]2([CH2:14][CH2:15]2)[CH2:16][CH:17]1[C:18](=[O:20])[NH:25][CH2:26][C:27](=[O:28])[c:29]1[cH:30][cH:31][c:32]([Br:35])[cH:33][cH:34]1

Participants

12

Reactant 11

HCID 313Hydrochloric Acid2×HCID 887MethanolHCID 961HydroxideHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 216392-Amino-1-(4-bromophenyl)ethanoneHCID 28486Lithium ionHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 596105415-[(Benzyloxy)carbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid

Product 1

HCID 666210666-[2-(4-Bromo-phenyl)-2-oxo-ethylcarbamoyl]-5-aza-spiro[2.4]heptane-5-carboxylic acid benzyl ester

Sources & evidence

ORD record
ord-c171543d6cad4a9ca9991fb1af7fd226
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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