Acetic Acid → 4-[2-(4-Bromo-2-methyl-phenylamino)-ethyl]-piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester

HRID 1207191Notes

Reaction equation

HRID 1207191 reaction equation
[CH2:10]([CH3:11])[O:12][C:13](=[O:14])[C:15]1([CH2:28][CH:29]=[O:30])[CH2:16][CH2:17][N:18]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[CH2:19][CH2:20]1.[CH3:1][c:2]1[c:3]([NH2:4])[cH:5][cH:6][c:7]([Br:9])[cH:8]1.[CH3:31][C:32](=[O:33])[OH:34].[CH3:45][OH:46].[Cl:42][CH2:43][Cl:44].[NH2:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1>>[CH3:1][c:2]1[c:3]([NH:4][CH2:29][CH2:28][C:15]2([C:13]([O:12][CH2:10][CH3:11])=[O:14])[CH2:16][CH2:17][N:18]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[CH2:19][CH2:20]2)[cH:5][cH:6][c:7]([Br:9])[cH:8]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 887MethanolHCID 6115AnilineHCID 6344DichloromethaneHCID 114234-Bromo-2-methylanilineHCID 584784234-(2-Oxoethyl)-piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester

Product 1

HCID 674216984-[2-(4-Bromo-2-methyl-phenylamino)-ethyl]-piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester

Sources & evidence

ORD record
ord-b51aaca53e1e4a7f8497683837643666
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…