Piperazin-1-yl-acetic acid → 2-[4-[5-[[1-[[4-Chloro-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]piperazin-1-yl]acetic acid

HRID 85905

반응식

HRID 85905 반응식
[Cl:1][c:2]1[cH:3][c:4]([C:27]([F:28])([F:29])[F:30])[c:5]([CH2:6][n:7]2[n:8][cH:9][c:10]3[cH:11][c:12]([CH:16]=[C:17]4[C:18](=[O:24])[N:19]=[C:20]([S:22][CH3:23])[S:21]4)[cH:13][cH:14][c:15]23)[cH:25][cH:26]1.[N:31]1([CH2:37][C:38](=[O:39])[OH:40])[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]1>>[Cl:1][c:2]1[cH:3][c:4]([C:27]([F:28])([F:29])[F:30])[c:5]([CH2:6][n:7]2[n:8][cH:9][c:10]3[cH:11][c:12]([CH:16]=[C:17]4[C:18](=[O:24])[N:19]=[C:20]([N:34]5[CH2:33][CH2:32][N:31]([CH2:37][C:38](=[O:39])[OH:40])[CH2:36][CH2:35]5)[S:21]4)[cH:13][cH:14][c:15]23)[cH:25][cH:26]1

참가 물질

3

반응물 2

HCID 650402Piperazin-1-yl-acetic acidHCID 672400965-[1-(4-chloro-2-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-2-methylsulfanyl-thiazol-4-one

생성물 1

HCID 672409562-[4-[5-[[1-[[4-Chloro-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]piperazin-1-yl]acetic acid

출처 및 근거

ORD 기록
ord-ff4a3ff0b18c40d6a9df291ba1d9e36e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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