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

HRID 1120376
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HRID 1120376 반응식
[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:49]([P:50](=[O:51])([O:52][CH2:53][CH3:54])[O:55][CH2:56][CH3:57])#[N:58].[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)[n:15]2)[cH:4][c:5]([NH2:6])[cH:7][cH:8]1.[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[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)[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
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 313Hydrochloric Acid2회HCID 6228DimethylformamideHCID 8471TriethylamineHCID 76257Diethyl cyanophosphonateHCID 230735473-Bromo-4-((4-methylpiperazin-1-yl)methyl)benzoic acidHCID 231458394-Methyl-3-[4-(5-pyrimidinyl)pyrimidin-2-ylamino]aniline

생성물 1

HCID 9985538
3-bromo-4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]benzamide

출처 및 근거

ORD 기록
ord-eee46bcf591e4d12ac82e3aa64c9f320
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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