Dimethylformamide → 1-[[4-[Benzyl(methyl)amino]-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-3-[3-ethyl-5-(1-methyltetrazol-5-yl)phenyl]urea

HRID 211862Notes

Reaction equation

HRID 211862 reaction equation
[CH3:51][CH2:52][N:53]([CH2:54][CH3:55])[CH2:56][CH3:57].[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[NH2:1][CH2:2][CH:3]1[CH2:4][N:5]([CH2:18][CH2:19][c:20]2[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]2)[CH2:6][CH2:7][CH:8]1[N:9]([CH3:10])[CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1.[c:27]1([O:33][C:34](=[O:28])[NH:35][c:36]2[cH:37][c:38]([CH2:48][CH3:49])[cH:39][c:40](-[c:42]3[n:43][n:44][n:45][n:46]3[CH3:47])[cH:41]2)[cH:29][cH:30][cH:31][cH:32][cH:50]1>>[NH:1]([CH2:2][CH:3]1[CH2:4][N:5]([CH2:18][CH2:19][c:20]2[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]2)[CH2:6][CH2:7][CH:8]1[N:9]([CH3:10])[CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[C:34](=[O:33])[NH:35][c:36]1[cH:37][c:38]([CH2:48][CH3:49])[cH:39][c:40](-[c:42]2[n:43][n:44][n:45][n:46]2[CH3:47])[cH:41]1

Participants

5

Reactant 4

HCID 6228DimethylformamideHCID 8471TriethylamineHCID 22252693Phenyl 3-ethyl-5-(1-methyl-1H-tetraazol-5-yl)phenylcarbamateHCID 223502293-(aminomethyl)-N-benzyl-1-[2-(4-fluorophenyl)ethyl]-N-methylpiperidin-4-amine

Product 1

HCID 697367031-[[4-[Benzyl(methyl)amino]-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-3-[3-ethyl-5-(1-methyltetrazol-5-yl)phenyl]urea

Sources & evidence

ORD record
ord-14d1490e287e4f7791aa8b0f4f289382
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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