Water → HCID 12801675, compound

HRID 166480Notes

Reaction equation

HRID 166480 reaction equation
[CH3:30][C:31]#[N:32].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6](=[O:17])[c:7]([C:14](=[O:15])[OH:16])[cH:8][n:9]([CH2:12][CH3:13])[c:10]2[n:11]1.[NH:24]1[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]1.[OH2:18].[OH2:19].[OH2:20].[OH2:21].[OH2:22].[OH2:23]>>[c:2]1([N:24]2[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]2)[cH:3][cH:4][c:5]2[c:6](=[O:17])[c:7]([C:14](=[O:15])[OH:16])[cH:8][n:9]([CH2:12][CH3:13])[c:10]2[n:11]1

Participants

5

Reactant 4

HCID 962Water6×HCID 4837PiperazineHCID 6342AcetonitrileHCID 12801674HCID 12801674, compound

Product 1

HCID 12801675HCID 12801675, compound

Sources & evidence

ORD record
ord-df2a685678e246a88866b0b64acd2394
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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