Hydrochloric Acid → 4-[2-(4-Bromo-phenyl)-2-oxo-ethylcarbamoyl]-3-(2-methoxycarbonylamino-3-methyl-butyryl)-imidazolidine-1-carboxylic acid tert-butyl ester

HRID 2335481Notes

Reaction equation

HRID 2335481 reaction equation
[CH2:76]1[O:77][CH2:78][CH2:79][CH2:80]1.[CH3:1][O:2][C:3](=[O:4])[CH:5]1[N:6]([C:17]([CH:18]([CH:19]([CH3:20])[CH3:21])[NH:22][C:23](=[O:24])[O:25][CH3:26])=[O:27])[CH2:7][N:8]([C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[CH2:9]1.[CH3:81][OH:82].[CH:55]([N:56]([CH2:57][CH3:58])[CH:59]([CH3:60])[CH3:61])([CH3:62])[CH3:63].[ClH:30].[ClH:64].[Li+:29].[NH2:65][CH2:66][C:67](=[O:68])[c:69]1[cH:70][cH:71][c:72]([Br:75])[cH:73][cH:74]1.[OH-:28].[P-:31]([F:32])([F:33])([F:34])([F:35])([F:36])[F:37].[n:38]1([O:39][C:40]([N:41]([CH3:42])[CH3:43])=[N+:44]([CH3:45])[CH3:46])[c:47]2[n:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1>>[C:3](=[O:4])([CH:5]1[N:6]([C:17]([CH:18]([CH:19]([CH3:20])[CH3:21])[NH:22][C:23](=[O:24])[O:25][CH3:26])=[O:27])[CH2:7][N:8]([C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[CH2:9]1)[NH:65][CH2:66][C:67](=[O:68])[c:69]1[cH:70][cH:71][c:72]([Br:75])[cH:73][cH:74]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 666211143-(2-Methoxycarbonylamino-3-methyl-butyryl)-imidazolidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-methyl ester

Product 1

HCID 666206294-[2-(4-Bromo-phenyl)-2-oxo-ethylcarbamoyl]-3-(2-methoxycarbonylamino-3-methyl-butyryl)-imidazolidine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-026b4134163f46f2aad770a4494b99ff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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