Hydrochloric Acid → N-(1-methylethyl)-2-[(5-methyl-2-{[3-(4-methyl-2-oxo-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)amino]benzamide

HRID 1219430

反応式

HRID 1219430 の反応式
[CH:38]([OH:39])([CH3:40])[CH3:41].[Cl:1][c:2]1[n:3][cH:4][c:5]([CH3:21])[c:6]([NH:8][c:9]2[c:10]([C:11](=[O:12])[NH:13][CH:14]([CH3:15])[CH3:16])[cH:17][cH:18][cH:19][cH:20]2)[n:7]1.[ClH:37].[NH2:22][c:23]1[cH:24][c:25]([N:29]2[C:30](=[O:36])[CH2:31][N:32]([CH3:35])[CH2:33][CH2:34]2)[cH:26][cH:27][cH:28]1>>[c:2]1([NH:22][c:23]2[cH:24][c:25]([N:29]3[C:30](=[O:36])[CH2:31][N:32]([CH3:35])[CH2:33][CH2:34]3)[cH:26][cH:27][cH:28]2)[n:3][cH:4][c:5]([CH3:21])[c:6]([NH:8][c:9]2[c:10]([C:11](=[O:12])[NH:13][CH:14]([CH3:15])[CH3:16])[cH:17][cH:18][cH:19][cH:20]2)[n:7]1

参加物

5

反応物 4

HCID 313Hydrochloric AcidHCID 3776IsopropanolHCID 579741721-(3-Aminophenyl)-4-methylpiperazin-2-oneHCID 579742052-[(2-Chloro-5-methyl-4-pyrimidinyl)amino]-N-(1-methylethyl)benzamide

生成物 1

HCID 24864097N-(1-methylethyl)-2-[(5-methyl-2-{[3-(4-methyl-2-oxo-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)amino]benzamide

出典と根拠

ORDレコード
ord-17f598dd4f9441c4aefbbe6652598d13
出典データセット
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

関連ノート

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