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Dimethyl Sulfoxide → 2-(4-((2-Amino-4-methyl-6-(pentylamino)pyrimidin-5-yl)methyl)-3-methoxyphenyl)acetonitrile

HRID 693012
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HRID 693012 반응식
[CH3:29][S:30]([CH3:31])=[O:32].[Cl:4][CH2:5][c:6]1[cH:7][c:8]([O:27][CH3:28])[c:9]([CH2:10][c:11]2[c:12]([NH:19][CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])[n:13][c:14]([NH2:18])[n:15][c:16]2[CH3:17])[cH:25][cH:26]1.[K:1][C:2]#[N:3].[Na+:42].[O-:38][C:39]([OH:40])=[O:41].[O:33]=[CH:34][N:35]([CH3:36])[CH3:37]>>[C:2](#[N:3])[CH2:5][c:6]1[cH:7][c:8]([O:27][CH3:28])[c:9]([CH2:10][c:11]2[c:12]([NH:19][CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])[n:13][c:14]([NH2:18])[n:15][c:16]2[CH3:17])[cH:25][cH:26]1
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참가 물질

7

반응물 6

HCID 679Dimethyl SulfoxideHCID 769Bicarbonate IonHCID 923Sodium IonHCID 6228DimethylformamideHCID 689586835-(4-(Chloromethyl)-2-methoxybenzyl)-6-methyl-N4-pentylpyrimidine-2,4-diamineHCID 178511842HCID 178511842, 화합물

생성물 1

출처 및 근거

ORD 기록
ord-e15dc22b049d45a8a75f7d539932612b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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HCID 68954084
2-(4-((2-Amino-4-methyl-6-(pentylamino)pyrimidin-5-yl)methyl)-3-methoxyphenyl)acetonitrile