Isobutylamine → 2-[1-[3-(ethylamino)-2-pyridyl]piperazin-4-yl-carbonyl]-5-[N-(2-methylpropyl)carbamoyl]pyridine

반응식

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

참가 물질

반응물 2

HCID 6558Isobutylamine

HCID 18362847HCID 18362847, 화합물

생성물 1

HCID 183628122-[1-[3-(ethylamino)-2-pyridyl]piperazin-4-yl-carbonyl]-5-[N-(2-methylpropyl)carbamoyl]pyridine

출처 및 근거

ORD 기록: ord-b3b361d60eb94edf9891636d53787f65
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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