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Acetone → 3-(4-Nitrobenzyl)-5-(3,4-dimethoxyphenyl)-6-ethyl-3,6-dihydro-1,3,4-thiadiazin-2-one

HRID 665711
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HRID 665711 반응식
[C:47](=[O:48])([O-:49])[O-:50].[CH3:1][O:2][c:3]1[cH:4][c:5]([C:11]2=[N:12][NH:13][C:14](=[O:19])[S:15][CH:16]2[CH2:17][CH3:18])[cH:6][cH:7][c:8]1[O:9][CH3:10].[CH3:20][O:21][c:22]1[cH:23][c:24]([C:25](=[O:26])[CH:27]([Br:28])[CH2:29][CH3:30])[cH:31][cH:32][c:33]1[O:34][CH3:35].[CH3:53][C:54](=[O:55])[CH3:56].[K+:51].[K+:52].[N+:36](=[O:37])([O-:38])[c:39]1[cH:40][cH:41][c:42]([CH2:43][Cl:44])[cH:45][cH:46]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:11]2=[N:12][N:13]([CH2:43][c:42]3[cH:41][cH:40][c:39]([N+:36](=[O:37])[O-:38])[cH:46][cH:45]3)[C:14](=[O:19])[S:15][CH:16]2[CH2:17][CH3:18])[cH:6][cH:7][c:8]1[O:9][CH3:10]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 180AcetoneHCID 813Potassium Cation2회HCID 74824-Nitrobenzyl chlorideHCID 19660Carbonate IonHCID 153408225-(3,4-Dimethoxyphenyl)-6-ethyl-3,6-dihydro-1,3,4-thiadiazin-2-oneHCID 193579101-(3,4-Dimethoxyphenyl)-2-bromobutan-1-one

생성물 1

HCID 9801942
3-(4-Nitrobenzyl)-5-(3,4-dimethoxyphenyl)-6-ethyl-3,6-dihydro-1,3,4-thiadiazin-2-one

출처 및 근거

ORD 기록
ord-43566fff63dc4c039d7399a149f7ed52
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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