Ethyl piperazine-1-acetate → (4-{2-[2-(4-Chloro-benzoylamino)-thiazol-4-yl]-acetyl}-piperazin-1-yl)-acetic acid ethyl ester

반응식

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

참가 물질

반응물 2

HCID 207112Ethyl piperazine-1-acetate

HCID 677042[2-(4-Chloro-benzoylamino)-thiazol-4-yl]-acetic acid

생성물 1

HCID 59698848(4-{2-[2-(4-Chloro-benzoylamino)-thiazol-4-yl]-acetyl}-piperazin-1-yl)-acetic acid ethyl ester

출처 및 근거

ORD 기록: ord-4636039bd07c4d07bc40157fe1b3ab4f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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