Piperidin-4-ol → 1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-4-(4-hydroxy-piperidine-1-carbonyl)-1H-benzoimidazole-2-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide

HRID 679896

반응식

HRID 679896 반응식
[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:7]2[cH:8][c:9]([CH2:12][n:13]3[c:14]([C:25]([NH:26][CH:27]4[CH2:28][CH2:29][N:30]([CH:33]([CH3:34])[CH3:35])[CH2:31][CH2:32]4)=[O:36])[n:15][c:16]4[c:17]3[cH:18][cH:19][cH:20][c:21]4[C:22](=[O:23])[OH:24])[n:10][o:11]2)[s:6]1.[NH:37]1[CH2:38][CH2:39][CH:40]([OH:43])[CH2:41][CH2:42]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:7]2[cH:8][c:9]([CH2:12][n:13]3[c:14]([C:25]([NH:26][CH:27]4[CH2:28][CH2:29][N:30]([CH:33]([CH3:34])[CH3:35])[CH2:31][CH2:32]4)=[O:36])[n:15][c:16]4[c:17]3[cH:18][cH:19][cH:20][c:21]4[C:22](=[O:23])[N:37]3[CH2:38][CH2:39][CH:40]([OH:43])[CH2:41][CH2:42]3)[n:10][o:11]2)[s:6]1

참가 물질

3

반응물 2

HCID 79341Piperidin-4-olHCID 112378401-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-2-(1-isopropyl-piperidin-4-ylcarbamoyl)-1H-benzoimidazole-4-carboxylic acid

생성물 1

HCID 865958761-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-4-(4-hydroxy-piperidine-1-carbonyl)-1H-benzoimidazole-2-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide

출처 및 근거

ORD 기록
ord-7e884bb85bd246ddaff2b95abd59366c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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