Hydrochloric Acid → (1-{3-Acetyl-5-[2-(4-bromo-phenyl)-2-oxo-ethylcarbamoyl]-imidazolidine-1-carbonyl}-2-methyl-propyl)-carbamic acid methyl ester

HRID 1228781Notes

Reaction equation

HRID 1228781 reaction equation
[CH2:72]1[O:73][CH2:74][CH2:75][CH2:76]1.[CH3:1][O:2][C:3](=[O:4])[CH:5]1[N:6]([C:13]([CH:14]([CH:15]([CH3:16])[CH3:17])[NH:18][C:19](=[O:20])[O:21][CH3:22])=[O:23])[CH2:7][N:8]([C:10]([CH3:11])=[O:12])[CH2:9]1.[CH3:77][OH:78].[CH:51]([N:52]([CH2:53][CH3:54])[CH:55]([CH3:56])[CH3:57])([CH3:58])[CH3:59].[ClH:26].[ClH:60].[Li+:25].[NH2:61][CH2:62][C:63](=[O:64])[c:65]1[cH:66][cH:67][c:68]([Br:71])[cH:69][cH:70]1.[OH-:24].[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>>[C:3](=[O:4])([CH:5]1[N:6]([C:13]([CH:14]([CH:15]([CH3:16])[CH3:17])[NH:18][C:19](=[O:20])[O:21][CH3:22])=[O:23])[CH2:7][N:8]([C:10]([CH3:11])=[O:12])[CH2:9]1)[NH:61][CH2:62][C:63](=[O:64])[c:65]1[cH:66][cH:67][c:68]([Br:71])[cH:69][cH:70]1

Participants

11

Reactant 10

HCID 313Hydrochloric Acid2×HCID 887MethanolHCID 961HydroxideHCID 8028TetrahydrofuranHCID 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 666209721-Acetyl-3-(2-methoxycarbonylamino-3-methyl-butyryl)-imidazolidine-4-carboxylic acid methyl ester

Product 1

HCID 66620312(1-{3-Acetyl-5-[2-(4-bromo-phenyl)-2-oxo-ethylcarbamoyl]-imidazolidine-1-carbonyl}-2-methyl-propyl)-carbamic acid methyl ester

Sources & evidence

ORD record
ord-5da63125f82040e78b2555cced7606ac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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