3-Ethoxy-4-ethoxycarbonylphenylacetic acid → Ethyl 2-ethoxy-4-[N-(1-(2-piperidino-phenyl)-3-buten-1-yl)-aminocarbonylmethyl]-benzoate

반응식

[CH2:18]([CH3:19])[O:20][c:21]1[cH:22][c:23]([CH2:32][C:33](=[O:34])[OH:35])[cH:24][cH:25][c:26]1[C:27](=[O:28])[O:29][CH2:30][CH3:31].[N:1]1([c:7]2[c:8]([CH:13]([CH2:14][CH:15]=[CH2:16])[NH2:17])[cH:9][cH:10][cH:11][cH:12]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1>>[N:1]1([c:7]2[c:8]([CH:13]([CH2:14][CH:15]=[CH2:16])[NH:17][C:33]([CH2:32][c:23]3[cH:22][c:21]([O:20][CH2:18][CH3:19])[c:26]([C:27](=[O:28])[O:29][CH2:30][CH3:31])[cH:25][cH:24]3)=[O:34])[cH:9][cH:10][cH:11][cH:12]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

참가 물질

반응물 2

HCID 101312123-Ethoxy-4-ethoxycarbonylphenylacetic acid

HCID 542516131-(2-Piperidino-phenyl)-3-buten-1-yl-amine

생성물 1

HCID 21261841Ethyl 2-ethoxy-4-[N-(1-(2-piperidino-phenyl)-3-buten-1-yl)-aminocarbonylmethyl]-benzoate

출처 및 근거

ORD 기록: ord-759dc71bb4ff4c70a5b0320bf1480073
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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