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

HRID 2335426Notes

Reaction equation

HRID 2335426 reaction equation
[CH2:75]1[O:76][CH2:77][CH2:78][CH2:79]1.[CH3:1][O:2][C:3](=[O:4])[CH:5]1[N:6]([C:16]([CH:17]([CH:18]([CH3:19])[CH3:20])[NH:21][C:22](=[O:23])[O:24][CH3:25])=[O:26])[CH2:7][N:8]([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[CH2:9]1.[CH3:80][OH:81].[CH:54]([N:55]([CH2:56][CH3:57])[CH:58]([CH3:59])[CH3:60])([CH3:61])[CH3:62].[ClH:29].[ClH:63].[Li+:28].[NH2:64][CH2:65][C:66](=[O:67])[c:68]1[cH:69][cH:70][c:71]([Br:74])[cH:72][cH:73]1.[OH-:27].[P-:30]([F:31])([F:32])([F:33])([F:34])([F:35])[F:36].[n:37]1([O:38][C:39]([N:40]([CH3:41])[CH3:42])=[N+:43]([CH3:44])[CH3:45])[c:46]2[n:47][cH:48][cH:49][cH:50][c:51]2[n:52][n:53]1>>[C:3](=[O:4])([CH:5]1[N:6]([C:16]([CH:17]([CH:18]([CH3:19])[CH3:20])[NH:21][C:22](=[O:23])[O:24][CH3:25])=[O:26])[CH2:7][N:8]([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[CH2:9]1)[NH:64][CH2:65][C:66](=[O:67])[c:68]1[cH:69][cH:70][c:71]([Br:74])[cH:72][cH:73]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 666208283-(2-Methoxycarbonylamino-3-methyl-butyryl)-1-phenyl-imidazolidine-4-carboxylic acid methyl ester

Product 1

HCID 66621159(1-{5-[2-(4-Bromo-phenyl)-2-oxo-ethylcarbamoyl]-3-phenyl-imidazolidine-1-carbonyl}-2-methyl-propyl)-carbamic acid methyl ester

Sources & evidence

ORD record
ord-751c0134002342c898afd8e038ea7cb5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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