Methyl Isobutyl Ketone → HCID 57581523, compound

HRID 2160595Notes

Reaction equation

HRID 2160595 reaction equation
[CH3:39][CH:40]([CH3:41])[CH2:42][C:43](=[O:44])[CH3:45].[CH:30]([N:31]([CH2:32][CH3:33])[CH:34]([CH3:35])[CH3:36])([CH3:37])[CH3:38].[Cl:1][c:2]1[n:3][n:4][c:5]([Cl:12])[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12.[N:13]1([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH:14]([C:19](=[O:20])[O:21][CH3:22])[CH2:15][NH:16][CH2:17][CH2:18]1>>[c:2]1([N:16]2[CH2:15][CH:14]([C:19](=[O:20])[O:21][CH3:22])[N:13]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:18][CH2:17]2)[n:3][n:4][c:5]([Cl:12])[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12

Participants

5

Reactant 4

HCID 7909Methyl Isobutyl KetoneHCID 784901,4-DichlorophthalazineHCID 81531DiisopropylethylamineHCID 27568181-(1,1-Dimethylethyl) 2-methyl 1,2-piperazinedicarboxylate

Product 1

HCID 57581523HCID 57581523, compound

Sources & evidence

ORD record
ord-08c5ecd5b45542e6a65f74b907ed593a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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