Imidazole → tert-butyl 2-[4-(1H-imidazol-1-yl)phenyl]ethylcarbamate

HRID 99488Notes

Reaction equation

HRID 99488 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][NH:10][C:11]([O:12][C:13]([CH3:14])([CH3:15])[CH3:16])=[O:17])[cH:6][cH:7]1.[C:37](=[O:38])([O-:39])[O-:40].[CH3:44][c:45]1[c:46]([CH3:47])[cH:48][cH:49][cH:50][cH:51]1.[Cs+:41].[Cs+:42].[OH2:43].[cH:23]1[cH:24][c:25]2[cH:26][cH:27][c:28]3[c:29]([c:30]2[n:31][cH:32]1)[n:33][cH:34][cH:35][cH:36]3.[nH:18]1[cH:19][n:20][cH:21][cH:22]1>>[c:2]1(-[n:18]2[cH:19][n:20][cH:21][cH:22]2)[cH:3][cH:4][c:5]([CH2:8][CH2:9][NH:10][C:11]([O:12][C:13]([CH3:14])([CH3:15])[CH3:16])=[O:17])[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 795ImidazoleHCID 962WaterHCID 13181,10-PhenanthrolineHCID 7237O-XyleneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 14221818[2-(4-Bromo-phenyl)ethyl]-carbamic acid tert-butyl ester

Product 1

HCID 22390721tert-butyl 2-[4-(1H-imidazol-1-yl)phenyl]ethylcarbamate

Sources & evidence

ORD record
ord-a3ee50eadeb346cbac1a0c9cdd1b30b0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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