2-(3-Ethylureidooxy)acetic acid → N-(1,1-diethoxypropan-2-yl)-2-[[2-(ethylcarbamoylamino)oxyacetyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-(quinolin-8-ylmethyl)propanamide

반응식

[CH2:1]([CH3:2])[NH:3][C:4]([NH:5][O:6][CH2:7][C:8](=[O:9])[OH:10])=[O:11].[NH2:12][CH:13]([C:14](=[O:15])[N:16]([CH2:17][c:18]1[cH:19][cH:20][cH:21][c:22]2[cH:23][cH:24][cH:25][n:26][c:27]12)[CH:28]([CH:29]([O:30][CH2:31][CH3:32])[O:33][CH2:34][CH3:35])[CH3:36])[CH2:37][c:38]1[cH:39][cH:40][c:41]([O:44][C:45]([CH3:46])([CH3:47])[CH3:48])[cH:42][cH:43]1>>[CH2:1]([CH3:2])[NH:3][C:4]([NH:5][O:6][CH2:7][C:8](=[O:10])[NH:12][CH:13]([C:14](=[O:15])[N:16]([CH2:17][c:18]1[cH:19][cH:20][cH:21][c:22]2[cH:23][cH:24][cH:25][n:26][c:27]12)[CH:28]([CH:29]([O:30][CH2:31][CH3:32])[O:33][CH2:34][CH3:35])[CH3:36])[CH2:37][c:38]1[cH:39][cH:40][c:41]([O:44][C:45]([CH3:46])([CH3:47])[CH3:48])[cH:42][cH:43]1)=[O:11]

참가 물질

반응물 2

HCID 533974162-(3-Ethylureidooxy)acetic acid

HCID 670755652-amino-N-(1,1-diethoxypropan-2-yl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-(quinolin-8-ylmethyl)propanamide

생성물 1

HCID 87263545N-(1,1-diethoxypropan-2-yl)-2-[[2-(ethylcarbamoylamino)oxyacetyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-(quinolin-8-ylmethyl)propanamide

출처 및 근거

ORD 기록: ord-f69bf84f838e47dabfcf28db3084dbb6
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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