Methanol → 3-(4-{1-[2-(4-Acetyl-3,5-dimethyl-piperazin-1-yl)-pyridin-4-yl]-1H-[1,2,4]triazol-3-ylamino}-phenyl)-1,1-dimethyl-urea

HRID 98864Notes

Reaction equation

HRID 98864 reaction equation
[C:1]([CH3:2])(=[O:3])[N:4]1[CH:5]([CH3:32])[CH2:6][N:7]([c:11]2[n:12][cH:13][cH:14][c:15](-[n:17]3[n:18][c:19]([NH:22][c:23]4[cH:24][cH:25][c:26]([C:27]([OH:28])=[O:29])[cH:30][cH:31]4)[n:20][cH:21]3)[cH:16]2)[CH2:8][CH:9]1[CH3:10].[CH3:50][OH:51].[CH:33]([N:36]([CH2:34][CH3:35])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[Cl:47][CH2:48][Cl:49].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46]>>[C:1]([CH3:2])(=[O:3])[N:4]1[CH:5]([CH3:32])[CH2:6][N:7]([c:11]2[n:12][cH:13][cH:14][c:15](-[n:17]3[n:18][c:19]([NH:22][c:23]4[cH:24][cH:25][c:26]([NH:36][C:43](=[O:42])[N:44]([CH3:45])[CH3:46])[cH:30][cH:31]4)[n:20][cH:21]3)[cH:16]2)[CH2:8][CH:9]1[CH3:10]

Participants

6

Reactant 5

HCID 887MethanolHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 81531DiisopropylethylamineHCID 68419598HCID 68419598, compound

Product 1

HCID 211064443-(4-{1-[2-(4-Acetyl-3,5-dimethyl-piperazin-1-yl)-pyridin-4-yl]-1H-[1,2,4]triazol-3-ylamino}-phenyl)-1,1-dimethyl-urea

Sources & evidence

ORD record
ord-f21874f9e03e442ca21038ad1779a6da
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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