Hydrochloric Acid → benzyl {2-(4-bromophenyl)-1-[1-[(dimethylamino)sulfonyl]-4-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl}carbamate

HRID 1133134Notes

Reaction equation

HRID 1133134 reaction equation
[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][C:10](=[O:11])[NH:12][CH:13]([CH2:14][c:15]1[cH:16][cH:17][c:18]([Br:21])[cH:19][cH:20]1)[c:22]1[n:23]([C:33]([O:34][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:39])[cH:24][c:25]([CH2:27][C:28]([CH2:29][CH3:30])([CH3:31])[CH3:32])[n:26]1.[CH2:56]([Cl:57])[Cl:58].[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH3:47][N:48]([S:49](=[O:50])(=[O:51])[Cl:52])[CH3:53].[CH3:54][OH:55].[ClH:1].[OH2:59]>>[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][C:10](=[O:11])[NH:12][CH:13]([CH2:14][c:15]1[cH:16][cH:17][c:18]([Br:21])[cH:19][cH:20]1)[c:22]1[n:23]([S:49]([N:48]([CH3:47])[CH3:53])(=[O:50])=[O:51])[cH:24][c:25]([CH2:27][C:28]([CH2:29][CH3:30])([CH3:31])[CH3:32])[n:26]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 887MethanolHCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 83372Dimethylsulphamoyl chlorideHCID 66705603tert-butyl 2-[1-{[(benzyloxy)carbonyl]amino}-2-(4-bromophenyl)ethyl]-4-(2,2-dimethylbutyl)-1H-imidazole-1-carboxylate

Product 1

HCID 86637798benzyl {2-(4-bromophenyl)-1-[1-[(dimethylamino)sulfonyl]-4-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl}carbamate

Sources & evidence

ORD record
ord-73f16add2112418abf68033bd95d370e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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