Acetonitrile → tert-butyl N-[[1-[2-bromo-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]carbamate

HRID 169461Notes

Reaction equation

HRID 169461 reaction equation
[B-:17]([F:18])([F:19])([F:20])[F:21].[Br:1][c:2]1[s:3][c:4](-[c:10]2[cH:11][cH:12][c:13]([F:16])[cH:14][cH:15]2)[c:5]([C:7](=[O:8])[OH:9])[n:6]1.[C:48]([CH3:49])([CH3:50])([CH3:51])[O:52][C:53]([NH:54][CH2:55][CH:56]1[NH:57][CH2:58][CH2:59][CH2:60][CH2:61]1)=[O:62].[CH3:63][C:64]#[N:65].[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[n:22]1([O:23][C:24]([N:25]([CH3:26])[CH3:27])=[N+:28]([CH3:29])[CH3:30])[c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]2[n:37][n:38]1>>[Br:1][c:2]1[s:3][c:4](-[c:10]2[cH:11][cH:12][c:13]([F:16])[cH:14][cH:15]2)[c:5]([C:7](=[O:9])[N:57]2[CH:56]([CH2:55][NH:54][C:53]([O:52][C:48]([CH3:49])([CH3:50])[CH3:51])=[O:62])[CH2:61][CH2:60][CH2:59][CH2:58]2)[n:6]1

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 2756031tert-butyl N-((piperidin-2-yl)methyl)carbamateHCID 68474259HCID 68474259, compound

Product 1

HCID 68473105tert-butyl N-[[1-[2-bromo-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]carbamate

Sources & evidence

ORD record
ord-45fe9e96386a4b4cb8d99814883f3441
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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