Hydrochloric Acid → 3,5-dimethoxy-4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide

HRID 144649

Reaction equation

HRID 144649 reaction equation
[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][cH:20][cH:21]3)[n:15]2)[cH:4][c:5]([NH2:6])[cH:7][cH:8]1.[CH3:46][O:47][c:48]1[cH:49][c:50]([C:51](=[O:52])[Cl:53])[cH:54][c:55]([O:65][CH3:66])[c:56]1[CH2:57][N:58]1[CH2:59][CH2:60][N:61]([CH3:64])[CH2:62][CH2:63]1.[Cl:22][c:23]1[n:24][cH:25][c:26](-[c:27]2[cH:28][cH:29][n:30][c:31]([NH:32][c:33]3[cH:34][c:35]([NH2:40])[cH:36][cH:37][c:38]3[CH3:39])[n:41]2)[cH:42][cH:43]1.[ClH:44].[ClH:45]>>[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][cH:20][cH:21]3)[n:15]2)[cH:4][c:5]([NH:6][C:51]([c:50]2[cH:49][c:48]([O:47][CH3:46])[c:56]([CH2:57][N:58]3[CH2:59][CH2:60][N:61]([CH3:64])[CH2:62][CH2:63]3)[c:55]([O:65][CH3:66])[cH:54]2)=[O:52])[cH:7][cH:8]1

Participants

5

Reactant 4

HCID 313Hydrochloric Acid2×HCID 9965429Imatinib amineHCID 230735823,5-Dimethoxy-4-[(4-methylpiperazin-1-yl)methyl]benzoyl chlorideHCID 587748273-[4-(6-Chloropyridin-3-yl)pyrimidin-2-ylamino]-4-methylaniline

Product 1

HCID 100078203,5-dimethoxy-4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide

Sources & evidence

ORD record
ord-bafe415142da48519c4bbb4f68bbb71b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

Loading…