Benzene → HCID 22760339, compound

HRID 1205089Notes

Reaction equation

HRID 1205089 reaction equation
[C:17]([CH3:18])(=[O:19])[N:20]1[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]1.[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([CH:14]([CH3:15])[Cl:16])[cH:12][cH:13]2)[cH:6][cH:7]1.[OH2:32].[cH:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([CH:14]([CH3:15])[N:23]3[CH2:22][CH2:21][N:20]([C:17]([CH3:18])=[O:19])[CH2:25][CH2:24]3)[cH:12][cH:13]2)[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 241BenzeneHCID 962WaterHCID 837951-AcetylpiperazineHCID 14674270HCID 14674270, compound

Product 1

HCID 22760339HCID 22760339, compound

Sources & evidence

ORD record
ord-416807ace841462f8882a6619f5d1290
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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