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Dimethyl Sulfoxide → tert-butyl N-[2-methyl-4-[[5-[[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]phenyl]methyl]-4-oxo-2,3-dihydro-1H-benzo[g][1]benzazepin-3-yl]amino]-4-oxobutan-2-yl]carbamate

HRID 2151829
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인쇄 미리보기

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HRID 2151829 반응식
[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8]([NH:9][C:10]([CH2:11][C:12]([NH:13][CH:14]1[CH2:15][CH2:16][c:17]2[c:18]([cH:22][cH:23][c:24]3[cH:25][cH:26][cH:27][cH:28][c:29]23)[NH:19][C:20]1=[O:21])=[O:30])([CH3:31])[CH3:32])=[O:33].[CH3:34][c:35]1[n:36][n:37][c:38](-[c:40]2[cH:41][s:42][cH:43][c:44]2-[c:45]2[cH:46][cH:47][c:48]([CH2:51][Br:52])[cH:49][cH:50]2)[o:39]1.[CH3:54][S:55]([CH3:56])=[O:57].[K+:2].[OH-:1].[OH2:53]>>[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8]([NH:9][C:10]([CH2:11][C:12]([NH:13][CH:14]1[CH2:15][CH2:16][c:17]2[c:18]([cH:22][cH:23][c:24]3[cH:25][cH:26][cH:27][cH:28][c:29]23)[N:19]([CH2:51][c:48]2[cH:47][cH:46][c:45](-[c:44]3[c:40](-[c:38]4[n:37][n:36][c:35]([CH3:34])[o:39]4)[cH:41][s:42][cH:43]3)[cH:50][cH:49]2)[C:20]1=[O:21])=[O:30])([CH3:31])[CH3:32])=[O:33]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 679Dimethyl SulfoxideHCID 813Potassium CationHCID 961HydroxideHCID 962WaterHCID 189689045-Methyl-2-(4-(4-bromomethylphenyl)-3-thienyl)-[1,3,4]oxadiazoleHCID 53757316HCID 53757316, 화합물

생성물 1

HCID 54302086
tert-butyl N-[2-methyl-4-[[5-[[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]phenyl]methyl]-4-oxo-2,3-dihydro-1H-benzo[g][1]benzazepin-3-yl]amino]-4-oxobutan-2-yl]carbamate

출처 및 근거

ORD 기록
ord-51accea0572e4bf7ae751a06400e5adc
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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