Hippuric Acid → 4-[(N-benzoylglycyl)amino]methyl-1-(4-chlorobenzyl)piperidine

HRID 140002

Reaction equation

HRID 140002 reaction equation
[C:1]([CH2:2][NH:3][C:4](=[O:5])[c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)(=[O:12])[OH:13].[CH3:14][CH2:15][N:16]=[C:17]=[N:18][CH2:19][CH2:20][CH2:21][N:22]([CH3:23])[CH3:24].[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[Cl:58][CH2:59][Cl:60].[NH2:42][CH2:43][CH:44]1[CH2:45][CH2:46][N:47]([CH2:50][c:51]2[cH:52][cH:53][c:54]([Cl:57])[cH:55][cH:56]2)[CH2:48][CH2:49]1.[OH:25][n:26]1[c:27]2[c:28]([cH:29][cH:30][cH:31][cH:32]2)[n:33][n:34]1>>[C:1]([CH2:2][NH:3][C:4](=[O:5])[c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)(=[O:13])[NH:42][CH2:43][CH:44]1[CH2:45][CH2:46][N:47]([CH2:50][c:51]2[cH:52][cH:53][c:54]([Cl:57])[cH:55][cH:56]2)[CH2:48][CH2:49]1

Participants

7

Reactant 6

HCID 464Hippuric AcidHCID 6344DichloromethaneHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 18426145{[1-(4-Chlorobenzyl)piperidin-4-yl]methyl}amine

Product 1

HCID 184261924-[(N-benzoylglycyl)amino]methyl-1-(4-chlorobenzyl)piperidine

Sources & evidence

ORD record
ord-e97467f0dc82473893c1dda184512c05
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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