Hydrochloric Acid → 4-(4-ethylpiperazin-1-ylmethyl)-3-trifluoromethyl-N-{4-methyl-3-[4-(5-pyrimidinyl)pyridin-2-ylamino]phenyl}benzamide

HRID 107571Notes

Reaction equation

HRID 107571 reaction equation
[CH2:24]([CH3:25])[N:26]1[CH2:27][CH2:28][N:29]([CH2:32][c:33]2[c:34]([C:42]([F:43])([F:44])[F:45])[cH:35][c:36]([C:37](=[O:38])[Cl:39])[cH:40][cH:41]2)[CH2:30][CH2:31]1.[CH3:1][c:2]1[c:3]([NH:9][c:10]2[n:11][cH:12][cH:13][c:14](-[c:16]3[cH:17][n:18][cH:19][n:20][cH:21]3)[cH:15]2)[cH:4][c:5]([NH2:6])[cH:7][cH:8]1.[ClH:22].[ClH:23]>>[CH3:1][c:2]1[c:3]([NH:9][c:10]2[n:11][cH:12][cH:13][c:14](-[c:16]3[cH:17][n:18][cH:19][n:20][cH:21]3)[cH:15]2)[cH:4][c:5]([NH:6][C:37]([c:36]2[cH:35][c:34]([C:42]([F:43])([F:44])[F:45])[c:33]([CH2:32][N:29]3[CH2:28][CH2:27][N:26]([CH2:24][CH3:25])[CH2:31][CH2:30]3)[cH:41][cH:40]2)=[O:38])[cH:7][cH:8]1

Participants

4

Reactant 3

HCID 313Hydrochloric Acid2×HCID 23145851HCID 23145851, compoundHCID 231459624-Methyl-3-[4-(5-pyrimidinyl)pyridin-2-ylamino]aniline

Product 1

HCID 112845834-(4-ethylpiperazin-1-ylmethyl)-3-trifluoromethyl-N-{4-methyl-3-[4-(5-pyrimidinyl)pyridin-2-ylamino]phenyl}benzamide

Sources & evidence

ORD record
ord-62279e4813ef49d2991149f74da586de
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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