Methyl 2-[4-[[[2-(3-cyanophenoxy)pyridine-3-carbonyl]amino]methyl]-3-fluorophenoxy]propanoate → (+/-)-2-[3-Fluoro-4-({[2-(3-cyano-phenoxy)-pyridine-3-carbonyl]-amino}-methyl)-phenoxy]-propionic acid

HRID 1542458

반응식

HRID 1542458 반응식
[CH3:1][O:2][C:3]([CH:4]([CH3:5])[O:6][c:7]1[cH:8][c:9]([F:32])[c:10]([CH2:13][NH:14][C:15](=[O:16])[c:17]2[c:18]([O:23][c:24]3[cH:25][c:26]([C:30]#[N:31])[cH:27][cH:28][cH:29]3)[n:19][cH:20][cH:21][cH:22]2)[cH:11][cH:12]1)=[O:33].[CH3:34][O:35][C:36](=[O:37])[CH2:38][O:39][c:40]1[cH:41][cH:42][c:43]([CH2:44][NH:45][C:46]([c:47]2[c:48]([O:49][c:50]3[cH:51][cH:52][c:53]4[c:57]([cH:58]3)[O:56][CH2:55][O:54]4)[n:59][cH:60][cH:61][cH:62]2)=[O:63])[c:64]([F:65])[cH:66]1>>[O:2]=[C:3]([CH:4]([CH3:5])[O:6][c:7]1[cH:8][c:9]([F:32])[c:10]([CH2:13][NH:14][C:15](=[O:16])[c:17]2[c:18]([O:23][c:24]3[cH:25][c:26]([C:30]#[N:31])[cH:27][cH:28][cH:29]3)[n:19][cH:20][cH:21][cH:22]2)[cH:11][cH:12]1)[OH:33]

참가 물질

3

반응물 2

HCID 23529348Methyl 2-[4-[[[2-(3-cyanophenoxy)pyridine-3-carbonyl]amino]methyl]-3-fluorophenoxy]propanoateHCID 23529350[4-({[2-(Benzo[1,3]dioxol-5-yloxy)-pyridine-3-carbonyl]-amino}-methyl)-3-fluoro-phenoxy]-acetic acid methyl ester

생성물 1

HCID 10274614(+/-)-2-[3-Fluoro-4-({[2-(3-cyano-phenoxy)-pyridine-3-carbonyl]-amino}-methyl)-phenoxy]-propionic acid

출처 및 근거

ORD 기록
ord-ebd83c6df2e642a0b91609fa9f9375d7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

연결된 노트

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