Ethyl Acetate → 6-(1-{4-[2-(4-tert-Butyl-phenyl)-1H-benzoimidazol-4-yl]-piperazin-1-yl}-ethyl)-quinoxaline

HRID 675579Notes

Reaction equation

HRID 675579 reaction equation
[Br:1][CH:2]([CH3:3])[c:4]1[cH:5][c:6]2[n:7][cH:8][cH:9][n:10][c:11]2[cH:12][cH:13]1.[C:23]([CH3:24])([CH3:25])([CH3:26])[c:27]1[cH:28][cH:29][c:30](-[c:33]2[n:34][c:35]3[c:36]([nH:37]2)[cH:38][cH:39][cH:40][c:41]3[N:42]2[CH2:43][CH2:44][NH:45][CH2:46][CH2:47]2)[cH:31][cH:32]1.[CH3:48][N:49]1[CH2:50][CH2:51][CH2:52][C:53]1=[O:54].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[CH:14]([N:15]([CH:16]([CH3:17])[CH3:18])[CH2:19][CH3:20])([CH3:21])[CH3:22]>>[CH:2]([CH3:3])([c:4]1[cH:5][c:6]2[n:7][cH:8][cH:9][n:10][c:11]2[cH:12][cH:13]1)[N:45]1[CH2:44][CH2:43][N:42]([c:41]2[c:35]3[n:34][c:33](-[c:30]4[cH:29][cH:28][c:27]([C:23]([CH3:24])([CH3:25])[CH3:26])[cH:32][cH:31]4)[nH:37][c:36]3[cH:38][cH:39][cH:40]2)[CH2:47][CH2:46]1

Participants

6

Reactant 5

HCID 8857Ethyl AcetateHCID 13387N-methyl-2-pyrrolidoneHCID 81531DiisopropylethylamineHCID 585927736-(1-Bromoethyl)quinoxalineHCID 592588032-(4-tert-Butyl-phenyl)-4-piperazin-1-yl-1H-benzoimidazole

Product 1

HCID 685774176-(1-{4-[2-(4-tert-Butyl-phenyl)-1H-benzoimidazol-4-yl]-piperazin-1-yl}-ethyl)-quinoxaline

Sources & evidence

ORD record
ord-ccddcc6a150449fe8babb636f7e5e7ce
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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