Hippuric Acid → 4-{N-(N-benzoylglycyl)-N-(2,2-diphenylethyl)aminomethyl}-1-(4-chlorobenzyl)piperidine
Reaction equation
[C:31]([CH2:32][NH:33][C:34](=[O:35])[c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)(=[O:42])[OH:43].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][N:7]2[CH2:8][CH2:9][CH:10]([CH2:13][NH:14][CH2:15][CH:16]([c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[CH2:11][CH2:12]2)[cH:29][cH:30]1.[Cl:78][CH2:79][Cl:80].[OH:68][n:69]1[c:70]2[c:71]([cH:72][cH:73][cH:74][cH:75]2)[n:76][n:77]1.[P-:44]([F:45])([F:46])([F:47])([F:48])([F:49])[F:50].[n:51]1([O:52][C:53]([N:54]([CH3:55])[CH3:56])=[N+:57]([CH3:58])[CH3:59])[c:60]2[cH:61][cH:62][cH:63][cH:64][c:65]2[n:66][n:67]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][N:7]2[CH2:8][CH2:9][CH:10]([CH2:13][N:14]([CH2:15][CH:16]([c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[C:31]([CH2:32][NH:33][C:34](=[O:35])[c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)=[O:42])[CH2:11][CH2:12]2)[cH:29][cH:30]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-81be4a39fe4a4d42b7289a6b6c327509
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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