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Tetrahydrofuran → tert-butyl N-[1-[5-methylsulfanyl-3-(pyridine-3-carbonylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-3-yl]carbamate

HRID 681386
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HRID 681386 반응식
[Br:1][c:2]1[c:3]([N:20]2[CH2:21][CH:22]([NH:26][C:27]([O:28][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:33])[CH2:23][CH2:24][CH2:25]2)[c:4]2[c:5]([n:6][cH:7]1)[nH:8][cH:9][c:10]2[NH:11][C:12]([c:13]1[cH:14][n:15][cH:16][cH:17][cH:18]1)=[O:19].[CH2:36]([Li:37])[CH2:38][CH2:39][CH3:40].[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:34][Li:35].[CH3:41][S:42][S:43][CH3:44]>>[c:2]1([S:42][CH3:41])[c:3]([N:20]2[CH2:21][CH:22]([NH:26][C:27]([O:28][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:33])[CH2:23][CH2:24][CH2:25]2)[c:4]2[c:5]([n:6][cH:7]1)[nH:8][cH:9][c:10]2[NH:11][C:12]([c:13]1[cH:14][n:15][cH:16][cH:17][cH:18]1)=[O:19]
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반응물 5

HCID 8028TetrahydrofuranHCID 12232Dimethyl DisulfideHCID 60205278tert-butyl 1-(5-bromo-3-(nicotinamido)-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-ylcarbamateHCID 178418339ButyllithiumHCID 178418348HCID 178418348, 화합물

생성물 1

HCID 60205548
tert-butyl N-[1-[5-methylsulfanyl-3-(pyridine-3-carbonylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-3-yl]carbamate

출처 및 근거

ORD 기록
ord-2ca38687d9704a17a414eecdb7c68e84
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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