Potassium Cation → 2-[[5-Benzylsulfanyl-2-(piperidin-4-ylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]-4-methylpentan-1-ol

HRID 2149087

反応式

HRID 2149087 の反応式
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][CH:11]([NH:14][c:15]2[s:16][c:17]3[c:18]([n:19][c:20]([S:31][CH2:32][c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)[n:21][c:22]3[NH:23][CH:24]([CH2:25][CH:26]([CH3:27])[CH3:28])[CH2:29][OH:30])[n:39]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[C:47](=[O:48])([O-:49])[O-:50].[Cl:55][CH2:56][Cl:57].[K+:51].[K+:52].[Na+:54].[OH-:53].[OH:40][C:41]([C:42]([F:43])([F:44])[F:45])=[O:46]>>[NH:8]1[CH2:9][CH2:10][CH:11]([NH:14][c:15]2[s:16][c:17]3[c:18]([n:19][c:20]([S:31][CH2:32][c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)[n:21][c:22]3[NH:23][CH:24]([CH2:25][CH:26]([CH3:27])[CH3:28])[CH2:29][OH:30])[n:39]2)[CH2:12][CH2:13]1

参加物

8

反応物 7

HCID 813Potassium Cation2 回HCID 923Sodium ionHCID 961HydroxideHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 19660Carbonate IonHCID 87798491Tert-butyl 4-[[5-benzylsulfanyl-7-[(1-hydroxy-4-methylpentan-2-yl)amino]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]amino]piperidine-1-carboxylate

生成物 1

HCID 102272352-[[5-Benzylsulfanyl-2-(piperidin-4-ylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]-4-methylpentan-1-ol

出典と根拠

ORDレコード
ord-3135b66f21f342e78287b332b81116b2
出典データセット
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

関連ノート

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