Hydrochloric Acid → 3-bromo-N-(4-methyl-3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide

HRID 1201010Notes

Reaction equation

HRID 1201010 reaction equation
[Br:24][c:25]1[cH:26][c:27]([C:28](=[O:29])[OH:30])[cH:31][cH:32][c:33]1[CH2:34][N:35]1[CH2:36][CH2:37][N:38]([CH3:41])[CH2:39][CH2:40]1.[C:43](=[O:44])([O-:45])[OH:46].[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.[ClH:22].[ClH:23].[Na+:47].[OH2:42].[cH:48]1[cH:49][cH:50][n:51][cH:52][cH:53]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][cH:20][cH:21]3)[n:15]2)[cH:4][c:5]([NH:6][C:28]([c:27]2[cH:26][c:25]([Br:24])[c:33]([CH2:34][N:35]3[CH2:36][CH2:37][N:38]([CH3:41])[CH2:39][CH2:40]3)[cH:32][cH:31]2)=[O:29])[cH:7][cH:8]1

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 1049PyridineHCID 9965429Imatinib amineHCID 230735473-Bromo-4-((4-methylpiperazin-1-yl)methyl)benzoic acid

Product 1

HCID 104831633-bromo-N-(4-methyl-3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide

Sources & evidence

ORD record
ord-ac0c7f1b5d674b62b707a45041444436
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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