Acetone → HCID 21896983, compound

HRID 1121753Notes

Reaction equation

HRID 1121753 reaction equation
[CH3:31][C:32](=[O:33])[CH3:34].[CH3:35][C:36]#[N:37].[CH3:38][OH:39].[CH:19]1([NH2:22])[CH2:20][CH2:21]1.[Cl:1][c:2]1[cH:3][c:4]([NH:10][c:11]2[n:12][c:13]([Cl:18])[n:14][c:15]([Cl:17])[n:16]2)[cH:5][cH:6][c:7]1[O:8][CH3:9].[K+:30].[Na+:24].[OH-:23].[OH2:40].[P:25]([O-:26])([OH:27])([OH:28])=[O:29]>>[Cl:1][c:2]1[cH:3][c:4]([NH:10][c:11]2[n:12][c:13]([Cl:18])[n:14][c:15]([NH:22][CH:19]3[CH2:20][CH2:21]3)[n:16]2)[cH:5][cH:6][c:7]1[O:8][CH3:9]

Participants

11

Reactant 10

HCID 180AcetoneHCID 813Potassium CationHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 1003DihydrogenphosphateHCID 6342AcetonitrileHCID 69828CyclopropylamineHCID 21896921(3-Chloro-4-methoxy-phenyl)-(4,6-dichloro-[1,3,5]triazin-2-yl)-amine

Product 1

HCID 21896983HCID 21896983, compound

Sources & evidence

ORD record
ord-567d53f9b6cd48218f21563aadf02ae9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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