Ethyl Acetate → 2-[3-[[1-(4-Ethoxycarbonylpiperazin-1-yl)-5-[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]carbamoyl]-1-phenylpyrazol-5-yl]oxyacetic acid

HRID 690624

반응식

HRID 690624 반응식
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH2:7][CH2:8][N:9]([C:12]([CH:13]([CH2:14][CH2:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[NH:23][C:24](=[O:25])[c:26]2[n:27][n:28](-[c:43]3[cH:44][cH:45][cH:46][cH:47][cH:48]3)[c:29]([O:31][CH2:32][C:33](=[O:34])[O:35][CH2:36][c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)[cH:30]2)=[O:49])[CH2:10][CH2:11]1.[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[H:50][H:51]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH2:7][CH2:8][N:9]([C:12]([CH:13]([CH2:14][CH2:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[NH:23][C:24](=[O:25])[c:26]2[n:27][n:28](-[c:43]3[cH:44][cH:45][cH:46][cH:47][cH:48]3)[c:29]([O:31][CH2:32][C:33](=[O:34])[OH:35])[cH:30]2)=[O:49])[CH2:10][CH2:11]1

참가 물질

4

반응물 3

HCID 8857Ethyl AcetateHCID 66854262Ethyl 4-[5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-[[5-(2-oxo-2-phenylmethoxyethoxy)-1-phenylpyrazole-3-carbonyl]amino]pentanoyl]piperazine-1-carboxylateHCID 178418361HCID 178418361, 화합물

생성물 1

HCID 668560712-[3-[[1-(4-Ethoxycarbonylpiperazin-1-yl)-5-[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]carbamoyl]-1-phenylpyrazol-5-yl]oxyacetic acid

출처 및 근거

ORD 기록
ord-3569c3e1afb5497a884b3aab0dcbcdfd
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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