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

HRID 137844

Reaction equation

HRID 137844 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][CH:37]([CH3:42])[NH:38][CH:39]([CH3:41])[CH2:40]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]([NH2:6])[cH:7][cH:8]1.[CH3:64][CH2:65][N:66]([CH2:67][CH3:68])[CH2:69][CH3:70].[Cl:43][CH2:44][Cl:45].[ClH:22].[ClH:23].[OH2:63].[c:46]1([NH:47][P:48]([Cl:49])(=[O:50])[O:51][c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[cH:58][cH:59][cH:60][cH:61][cH:62]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][CH:37]([CH3:42])[NH:38][CH:39]([CH3:41])[CH2:40]3)[cH:32][cH:31]2)=[O:29])[cH:7][cH:8]1

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 103959Phosphoramidochloridic acid, N-phenyl-, phenyl esterHCID 9965429Imatinib amineHCID 230735773-Bromo-4-[(3,5-dimethylpiperazin-1-yl)methyl]benzoic acid

Product 1

HCID 104159343-bromo-4-[(3,5-dimethylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide

Sources & evidence

ORD record
ord-35057cf6ad1e48a198a8ba94e624d29c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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