Hydrochloric Acid → Diethyl 2-[(2-bromo-3-phenylpropanoyl)amino]propanedioate

HRID 676574Notes

Reaction equation

HRID 676574 reaction equation
[Br:1][CH:2]([C:3](=[O:4])[OH:5])[CH2:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1.[CH2:34]([N:35]=[C:36]=[N:37][CH2:38][CH2:39][CH2:40][N:41]([CH3:42])[CH3:43])[CH3:44].[CH3:26][N:27]1[CH2:28][CH2:29][O:30][CH2:31][CH2:32]1.[Cl:56][CH2:57][Cl:58].[ClH:13].[ClH:33].[NH2:14][CH:15]([C:16](=[O:17])[O:18][CH2:19][CH3:20])[C:21](=[O:22])[O:23][CH2:24][CH3:25].[O:59]1[CH2:60][CH2:61][CH2:62][CH2:63]1.[OH2:45].[OH:46][n:47]1[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[Br:1][CH:2]([C:3](=[O:5])[NH:14][CH:15]([C:16](=[O:17])[O:18][CH2:19][CH3:20])[C:21](=[O:22])[O:23][CH2:24][CH3:25])[CH2:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1

Participants

10

Reactant 9

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6344DichloromethaneHCID 79724-MethylmorpholineHCID 8028TetrahydrofuranHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81272Propanedioic acid, 2-amino-, 1,3-diethyl esterHCID 1675442-Bromo-3-phenylpropanoic acid

Product 1

HCID 18348129Diethyl 2-[(2-bromo-3-phenylpropanoyl)amino]propanedioate

Sources & evidence

ORD record
ord-16f60c86d3e949b6a4314551ed034e7b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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