Hydrochloric Acid → 4-(4-Cyclopropyl-piperazine-1-carbonyl)-benzaldehyde

HRID 683413Notes

Reaction equation

HRID 683413 reaction equation
[CH3:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[CH:1](=[O:2])[c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[OH:9])[cH:10][cH:11]1.[CH:20]1([N:23]2[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]2)[CH2:21][CH2:22]1.[ClH:18].[ClH:19].[Na+:17].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41].[OH-:16].[OH2:36].[S:12]([Cl:13])([Cl:14])=[O:15]>>[CH:1](=[O:2])[c:3]1[cH:4][cH:5][c:6]([C:7](=[O:9])[N:26]2[CH2:25][CH2:24][N:23]([CH:20]3[CH2:21][CH2:22]3)[CH2:28][CH2:27]2)[cH:10][cH:11]1

Participants

10

Reactant 9

HCID 313Hydrochloric Acid2×HCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 1140TolueneHCID 6228DimethylformamideHCID 120884-Formylbenzoic acidHCID 24386Thionyl ChlorideHCID 47420041-Cyclopropylpiperazine

Product 1

HCID 592181834-(4-Cyclopropyl-piperazine-1-carbonyl)-benzaldehyde

Sources & evidence

ORD record
ord-aeb60b42d33744ddbabdcc41df2071fb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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