Chloride → 1-Pyrrolidinecarboxamide

HRID 213017

Reaction equation

HRID 213017 reaction equation
[Al+3:2].[C:32]([Cl:33])([Cl:34])([Cl:35])[Cl:36].[CH3:12][C:13]([C:14](=[O:15])[OH:16])([CH3:17])[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1.[Cl-:1].[Cl-:3].[Cl-:4].[Cl:5][CH2:6][CH2:7][CH2:8][C:9](=[O:10])[Cl:11].[N:24]1([C:29](=[O:30])[NH2:31])[CH2:25][CH2:26][CH2:27][CH2:28]1.[OH2:37]>>[Cl:5][CH2:6][CH2:7][CH2:8][C:9](=[O:10])[c:21]1[cH:20][cH:19][c:18]([C:13]([CH3:12])([C:14](=[O:15])[OH:16])[CH3:17])[cH:23][cH:22]1.[N:24]1([C:29](=[O:30])[NH2:31])[CH2:25][CH2:26][CH2:27][CH2:28]1

Participants

9

Reactant 7

HCID 312Chloride3×HCID 962WaterHCID 5943Carbon TetrachlorideHCID 132222-Phenylisobutyric acidHCID 783704-Chlorobutyryl chlorideHCID 104727Aluminum CationHCID 1383351-Pyrrolidinecarboxamide

Product 2

HCID 1383351-PyrrolidinecarboxamideHCID 109235672-(4-(4-Chlorobutanoyl)phenyl)-2-methylpropanoic acid

Sources & evidence

ORD record
ord-6c4a7136ea6148a4826bd69b40d7cac4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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