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Sodium Ion → N2-(4-(1-(3-(azetidin-1-ylsulfonyl)propyl)piperidin-4-yl)-2,5-dimethylphenyl)-5-chloro-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

HRID 206518
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HRID 206518 반응식
[CH3:43][N:44]1[CH2:45][CH2:46][CH2:47][C:48]1=[O:49].[Cl:1][c:2]1[c:3]([NH:23][c:24]2[n:25][nH:26][c:27]([CH3:29])[cH:28]2)[n:4][c:5]([NH:8][c:9]2[c:10]([CH3:22])[cH:11][c:12]([CH:16]3[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]3)[c:13]([CH3:15])[cH:14]2)[n:6][cH:7]1.[Cl:30][CH2:31][CH2:32][CH2:33][S:34](=[O:35])(=[O:36])[N:37]1[CH2:38][CH2:39][CH2:40]1.[I-:42].[Na+:41]>>[Cl:1][c:2]1[c:3]([NH:23][c:24]2[n:25][nH:26][c:27]([CH3:29])[cH:28]2)[n:4][c:5]([NH:8][c:9]2[c:10]([CH3:22])[cH:11][c:12]([CH:16]3[CH2:17][CH2:18][N:19]([CH2:31][CH2:32][CH2:33][S:34](=[O:35])(=[O:36])[N:37]4[CH2:38][CH2:39][CH2:40]4)[CH2:20][CH2:21]3)[c:13]([CH3:15])[cH:14]2)[n:6][cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 923Sodium IonHCID 13387N-methyl-2-pyrrolidoneHCID 30165Iodide IonHCID 436540701-(3-Chloropropylsulfonyl)azetidineHCID 582549005-chloro-N-(2,5-dimethyl-4-(piperidin-4-yl)phenyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

생성물 1

HCID 44612622
N2-(4-(1-(3-(azetidin-1-ylsulfonyl)propyl)piperidin-4-yl)-2,5-dimethylphenyl)-5-chloro-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

출처 및 근거

ORD 기록
ord-bcee1f5d7142450c82d6f1e2e6709e95
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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