tert-Butylsulfonamide → 4-(2-Methyl-propane-2-sulfonylaminocarbonyl)-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-carboxylic acid (3-iodo-4-methyl-phenyl)-amide

반응식

[C:27]([CH3:28])([CH3:29])([CH3:30])[S:31](=[O:32])(=[O:33])[NH2:34].[I:1][c:2]1[cH:3][c:4]([NH:9][C:10](=[O:11])[c:12]2[cH:13][cH:14][c:15]([N:18]3[CH2:19][CH2:20][CH:21]([C:24](=[O:25])[OH:26])[CH2:22][CH2:23]3)[n:16][cH:17]2)[cH:5][cH:6][c:7]1[CH3:8]>>[I:1][c:2]1[cH:3][c:4]([NH:9][C:10](=[O:11])[c:12]2[cH:13][cH:14][c:15]([N:18]3[CH2:19][CH2:20][CH:21]([C:24](=[O:25])[NH:34][S:31]([C:27]([CH3:28])([CH3:29])[CH3:30])(=[O:32])=[O:33])[CH2:22][CH2:23]3)[n:16][cH:17]2)[cH:5][cH:6][c:7]1[CH3:8]

참가 물질

반응물 2

HCID 2757335tert-Butylsulfonamide

HCID 593179685'-(3-Iodo-4-methyl-phenylcarbamoyl)-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-carboxylic acid

생성물 1

HCID 593180224-(2-Methyl-propane-2-sulfonylaminocarbonyl)-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-carboxylic acid (3-iodo-4-methyl-phenyl)-amide

출처 및 근거

ORD 기록: ord-185d0b610751460bbc3a9e2e4715ff74
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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