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Dimethylformamide → Methyl 3-{4-[N-({5-[(3-{[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-amino}phenyl)ethynyl]pyridin-3-yl}carbonyl)-S-methylsulfonimidoyl]phenyl}-propanoate

HRID 819214
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HRID 819214 반응식
[CH3:1][n:2]1[n:3][c:4]([CH3:27])[cH:5][c:6]1[C:7](=[O:8])[NH:9][c:10]1[cH:11][c:12]([C:16]#[C:17][c:18]2[cH:19][n:20][cH:21][c:22]([C:23](=[O:24])[OH:25])[cH:26]2)[cH:13][cH:14][cH:15]1.[CH3:28][S:29](=[O:30])(=[NH:31])[c:32]1[cH:33][cH:34][c:35]([CH2:38][CH2:39][C:40](=[O:41])[O:42][CH3:43])[cH:36][cH:37]1.[CH3:58][CH2:59][O:60][C:61]([CH3:62])=[O:63].[CH:44]([N:45]([CH2:46][CH3:47])[CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57]>>[CH3:1][n:2]1[n:3][c:4]([CH3:27])[cH:5][c:6]1[C:7](=[O:8])[NH:9][c:10]1[cH:11][c:12]([C:16]#[C:17][c:18]2[cH:19][n:20][cH:21][c:22]([C:23](=[O:24])[N:31]=[S:29]([CH3:28])(=[O:30])[c:32]3[cH:33][cH:34][c:35]([CH2:38][CH2:39][C:40](=[O:41])[O:42][CH3:43])[cH:36][cH:37]3)[cH:26]2)[cH:13][cH:14][cH:15]1
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반응물 5

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 57657822Methyl 3-[4-(S-methylsulfonimidoyl)phenyl]propanoateHCID 576579595-[(3-{[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}phenyl)-ethynyl]nicotinic acid

생성물 1

HCID 24955630
Methyl 3-{4-[N-({5-[(3-{[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-amino}phenyl)ethynyl]pyridin-3-yl}carbonyl)-S-methylsulfonimidoyl]phenyl}-propanoate

출처 및 근거

ORD 기록
ord-2e54cf9f77e24d93a71c49a135d5a94a
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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