Dimethylformamide → 1-[3-Ethyl-5-(1-methyltetrazol-5-yl)phenyl]-3-[[1-[2-(4-fluorophenyl)ethyl]-4-methylpiperidin-3-yl]methyl]urea

HRID 667415Notes

Reaction equation

HRID 667415 reaction equation
[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][N:10]2[CH2:11][CH:12]([CH2:17][NH2:18])[CH:13]([CH3:16])[CH2:14][CH2:15]2)[cH:6][cH:7]1.[c:19]1([O:25][C:26](=[O:20])[NH:27][c:28]2[cH:29][c:30]([CH2:40][CH3:41])[cH:31][c:32](-[c:34]3[n:35][n:36][n:37][n:38]3[CH3:39])[cH:33]2)[cH:21][cH:22][cH:23][cH:24][cH:42]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][N:10]2[CH2:11][CH:12]([CH2:17][NH:18][C:26](=[O:25])[NH:27][c:28]3[cH:29][c:30]([CH2:40][CH3:41])[cH:31][c:32](-[c:34]4[n:35][n:36][n:37][n:38]4[CH3:39])[cH:33]3)[CH:13]([CH3:16])[CH2:14][CH2:15]2)[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 6228DimethylformamideHCID 8471TriethylamineHCID 22252693Phenyl 3-ethyl-5-(1-methyl-1H-tetraazol-5-yl)phenylcarbamateHCID 69736295[1-[2-(4-Fluorophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine

Product 1

HCID 697370221-[3-Ethyl-5-(1-methyltetrazol-5-yl)phenyl]-3-[[1-[2-(4-fluorophenyl)ethyl]-4-methylpiperidin-3-yl]methyl]urea

Sources & evidence

ORD record
ord-cd235cec837e4a4ebe1a942f258a9327
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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