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Sodium Ion → tert-butyl N-[4-[[1-amino-3-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)phenyl]-1-oxopropan-2-yl]carbamoyl]oxan-4-yl]carbamate

HRID 939772
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인쇄 미리보기

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HRID 939772 반응식
[CH3:30][N:31]1[c:32]2[c:33]([cH:38][cH:39][c:40]([B:42]3[O:43][C:44]([CH3:45])([CH3:46])[C:47]([CH3:48])([CH3:49])[O:50]3)[cH:41]2)[O:34][CH2:35][C:36]1=[O:37].[CH3:57][C:58]#[N:59].[NH2:1][C:2]([CH:3]([CH2:4][c:5]1[cH:6][cH:7][c:8]([I:11])[cH:9][cH:10]1)[NH:12][C:13](=[O:14])[C:15]1([NH:21][C:22]([O:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[CH2:16][CH2:17][O:18][CH2:19][CH2:20]1)=[O:29].[Na+:51].[Na+:52].[O-:53][C:54](=[O:55])[O-:56]>>[NH2:1][C:2]([CH:3]([CH2:4][c:5]1[cH:6][cH:7][c:8](-[c:40]2[cH:39][cH:38][c:33]3[c:32]([cH:41]2)[N:31]([CH3:30])[C:36](=[O:37])[CH2:35][O:34]3)[cH:9][cH:10]1)[NH:12][C:13](=[O:14])[C:15]1([NH:21][C:22]([O:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[CH2:16][CH2:17][O:18][CH2:19][CH2:20]1)=[O:29]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 923Sodium Ion2회HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 532172054-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)-2H-benzo[B][1,4]oxazin-3(4H)-oneHCID 68431026tert-butyl N-[4-[[1-amino-3-(4-iodophenyl)-1-oxopropan-2-yl]carbamoyl]oxan-4-yl]carbamate

생성물 1

HCID 72328346
tert-butyl N-[4-[[1-amino-3-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)phenyl]-1-oxopropan-2-yl]carbamoyl]oxan-4-yl]carbamate

출처 및 근거

ORD 기록
ord-8467ff13ef4a48b1931afdb2aea8da86
출처 데이터셋
Validation data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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