Hydrochloric Acid → 4-(1-methylpiperazin-4-ylmethyl)-3-trifluoromethyl-N-{4-methyl-3-[6-(3-pyridyl)pyrimidin-4-ylamino]phenyl}benzamide

HRID 185437Notes

Reaction equation

HRID 185437 reaction equation
[CH3:1][c:2]1[c:3]([NH:9][c:10]2[n:11][cH:12][n:13][c:14](-[c:16]3[cH:17][n:18][cH:19][cH:20][cH:21]3)[cH:15]2)[cH:4][c:5]([NH2:6])[cH:7][cH:8]1.[CH3:24][N:25]1[CH2:26][CH2:27][N:28]([CH2:31][c:32]2[c:33]([C:41]([F:42])([F:43])[F:44])[cH:34][c:35]([C:36](=[O:37])[Cl:38])[cH:39][cH:40]2)[CH2:29][CH2:30]1.[ClH:22].[ClH:23]>>[CH3:1][c:2]1[c:3]([NH:9][c:10]2[n:11][cH:12][n:13][c:14](-[c:16]3[cH:17][n:18][cH:19][cH:20][cH:21]3)[cH:15]2)[cH:4][c:5]([NH:6][C:36]([c:35]2[cH:34][c:33]([C:41]([F:42])([F:43])[F:44])[c:32]([CH2:31][N:28]3[CH2:27][CH2:26][N:25]([CH3:24])[CH2:30][CH2:29]3)[cH:40][cH:39]2)=[O:37])[cH:7][cH:8]1

Participants

4

Reactant 3

HCID 313Hydrochloric Acid2×HCID 230735463-(Trifluoromethyl)-4-(4-methylpiperazine-1-ylmethyl)benzoic acid chlorideHCID 23145914HCID 23145914, compound

Product 1

HCID 112959624-(1-methylpiperazin-4-ylmethyl)-3-trifluoromethyl-N-{4-methyl-3-[6-(3-pyridyl)pyrimidin-4-ylamino]phenyl}benzamide

Sources & evidence

ORD record
ord-ced947232ca64acda5c257a6f7ca840e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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