Hydrochloric Acid → 2-(4-{[(2-Chloroethoxy)carbonyl]amino}phenyl)propanoic Acid

HRID 120911

Reaction equation

HRID 120911 reaction equation
[CH:41]([O:42][CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[Cl:13][CH2:14][CH2:15][O:16][C:17](=[O:18])[Cl:19].[Cl:48][CH2:49][Cl:50].[ClH:40].[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([C:9](=[O:10])[OH:11])[CH3:12])[cH:6][cH:7]1.[Na+:37].[Na+:38].[Na+:39].[OH2:20].[OH2:21].[OH2:22].[OH2:23].[OH2:24].[OH2:25].[OH2:26].[OH2:27].[OH2:28].[OH2:29].[OH2:30].[OH2:31].[P:32]([O-:33])([O-:34])([O-:35])=[O:36]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([CH:8]([C:9](=[O:10])[OH:11])[CH3:12])[cH:6][cH:7]1)[C:17]([O:16][CH2:15][CH2:14][Cl:13])=[O:18]

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 923Sodium ion3×HCID 962Water12×HCID 1061PhosphateHCID 6344DichloromethaneHCID 7914Diisopropyl EtherHCID 123052-Chloroethyl chloroformateHCID 430264-Aminohydratropic acid

Product 1

HCID 184235752-(4-{[(2-Chloroethoxy)carbonyl]amino}phenyl)propanoic Acid

Sources & evidence

ORD record
ord-1f59a1fa33ab42e5a93dd61a945b396d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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