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Hydrochloric Acid → 4-(4-(5-chloro-4-(5-methyl-1H-pyrazol-3-ylamino)pyrimidin-2-ylamino)-2,5-dimethylphenyl)-1-(4-methoxybenzyl)piperidin-2-one

HRID 301824
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HRID 301824 반응식
[CH:47]([OH:48])([CH3:49])[CH3:50].[Cl:26][c:27]1[n:28][cH:29][c:30]([Cl:40])[c:31]([NH:33][c:34]2[n:35][nH:36][c:37]([CH3:39])[cH:38]2)[n:32]1.[ClH:41].[NH2:1][c:2]1[cH:3][c:4]([CH3:25])[c:5]([CH:9]2[CH2:10][C:11](=[O:24])[N:12]([CH2:15][c:16]3[cH:17][cH:18][c:19]([O:22][CH3:23])[cH:20][cH:21]3)[CH2:13][CH2:14]2)[cH:6][c:7]1[CH3:8].[Na+:46].[O-:42][C:43]([OH:44])=[O:45]>>[NH:1]([c:2]1[cH:3][c:4]([CH3:25])[c:5]([CH:9]2[CH2:10][C:11](=[O:24])[N:12]([CH2:15][c:16]3[cH:17][cH:18][c:19]([O:22][CH3:23])[cH:20][cH:21]3)[CH2:13][CH2:14]2)[cH:6][c:7]1[CH3:8])[c:27]1[n:28][cH:29][c:30]([Cl:40])[c:31]([NH:33][c:34]2[n:35][nH:36][c:37]([CH3:39])[cH:38]2)[n:32]1
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반응물 6

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium IonHCID 3776IsopropanolHCID 114022722,5-Dichloro-N-(5-methyl-1H-pyrazol-3-yl)-4-pyrimidinamineHCID 671555764-(4-Amino-2,5-dimethylphenyl)-1-(4-methoxybenzyl)piperidin-2-one

생성물 1

HCID 67155513
4-(4-(5-chloro-4-(5-methyl-1H-pyrazol-3-ylamino)pyrimidin-2-ylamino)-2,5-dimethylphenyl)-1-(4-methoxybenzyl)piperidin-2-one

출처 및 근거

ORD 기록
ord-e7c86f9710e941aea9a8d8a8e5b932cc
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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