Cyclopentanecarboxylic acid, 2-amino- → 2-[[4-[5-[1-(2-Fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopentane-1-carboxylic acid

반응식

[F:1][c:2]1[c:3](-[n:8]2[n:9][n:10][c:11](-[c:19]3[n:20][c:21](-[c:24]4[cH:25][cH:26][c:27]([CH:28]=[O:29])[cH:30][cH:31]4)[n:22][o:23]3)[c:12]2-[c:13]2[cH:14][cH:15][n:16][cH:17][cH:18]2)[cH:4][cH:5][cH:6][cH:7]1.[NH2:32][CH:33]1[CH:34]([C:38](=[O:39])[OH:40])[CH2:35][CH2:36][CH2:37]1>>[F:1][c:2]1[c:3](-[n:8]2[n:9][n:10][c:11](-[c:19]3[n:20][c:21](-[c:24]4[cH:25][cH:26][c:27]([CH2:28][NH:32][CH:33]5[CH:34]([C:38](=[O:39])[OH:40])[CH2:35][CH2:36][CH2:37]5)[cH:30][cH:31]4)[n:22][o:23]3)[c:12]2-[c:13]2[cH:14][cH:15][n:16][cH:17][cH:18]2)[cH:4][cH:5][cH:6][cH:7]1

참가 물질

반응물 2

HCID 429614Cyclopentanecarboxylic acid, 2-amino-

HCID 866481594-(5-(1-(2-fluorophenyl)-5-(pyridin-4-yl)-1H-1,2,3-triazol-4-yl)-1,2,4-oxadiazol-3-yl) benzaldehyde

생성물 1

HCID 723368262-[[4-[5-[1-(2-Fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopentane-1-carboxylic acid

출처 및 근거

ORD 기록: ord-71f4b41e8e2a4a61af64f28f8edbd624
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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