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Sodium Ion → 3-[1-[4-[1-(Cyclopropylmethyl)-6-oxo-3-pyridinyl]phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one

HRID 666547
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HRID 666547 반응식
[Br:42][c:43]1[cH:44][cH:45][c:46](=[O:53])[n:47]([CH2:49][CH:50]2[CH2:51][CH2:52]2)[cH:48]1.[C:1](=[O:2])([O-:3])[O-:4].[CH3:55][N:56]([CH3:57])[CH:58]=[O:59].[Na+:5].[Na+:6].[OH2:54].[OH:7][C:8]([CH2:9][C:10]1([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[CH2:11][CH2:12][N:13]([CH:17]([CH3:18])[c:19]2[cH:20][cH:21][c:22]([B:25]3[O:26][C:27]([CH3:28])([CH3:29])[C:30]([CH3:31])([CH3:32])[O:33]3)[cH:23][cH:24]2)[C:14](=[O:16])[O:15]1)([CH3:40])[CH3:41]>>[OH:7][C:8]([CH2:9][C:10]1([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[CH2:11][CH2:12][N:13]([CH:17]([CH3:18])[c:19]2[cH:20][cH:21][c:22](-[c:43]3[cH:44][cH:45][c:46](=[O:53])[n:47]([CH2:49][CH:50]4[CH2:51][CH2:52]4)[cH:48]3)[cH:23][cH:24]2)[C:14](=[O:16])[O:15]1)([CH3:40])[CH3:41]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 923Sodium Ion2회HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 596357015-Bromo-1-(cyclopropylmethyl)-1,2-dihydropyridin-2-oneHCID 670197526-(2-Hydroxy-2-methylpropyl)-6-phenyl-3-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one

생성물 1

HCID 748182513-[1-[4-[1-(Cyclopropylmethyl)-6-oxo-3-pyridinyl]phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one

출처 및 근거

ORD 기록
ord-59dace88dca3446299178d572d1deaff
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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