Methanesulfonic acid 5-(4-trifluoromethoxy-phenyl)-pent-4-ynyl ester → 2-{3-Fluoro-2-methyl-4-[5-(4-trifluoromethoxy-phenyl)-pent-4-ynyloxy]-phenoxy}-2-methyl-propionic acid ethyl ester

HRID 169395

반응식

HRID 169395 반응식
[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([CH3:7])[O:8][c:9]1[c:10]([CH3:17])[c:11]([F:16])[c:12]([OH:15])[cH:13][cH:14]1)=[O:18].[F:19][C:20]([O:21][c:22]1[cH:23][cH:24][c:25]([C:28]#[C:29][CH2:30][CH2:31][CH2:32][O:33][S:34]([CH3:35])(=[O:36])=[O:37])[cH:26][cH:27]1)([F:38])[F:39]>>[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([CH3:7])[O:8][c:9]1[c:10]([CH3:17])[c:11]([F:16])[c:12]([O:15][CH2:32][CH2:31][CH2:30][C:29]#[C:28][c:25]2[cH:24][cH:23][c:22]([O:21][C:20]([F:19])([F:38])[F:39])[cH:27][cH:26]2)[cH:13][cH:14]1)=[O:18]

참가 물질

3

반응물 2

HCID 11616756Methanesulfonic acid 5-(4-trifluoromethoxy-phenyl)-pent-4-ynyl esterHCID 694602422-(3-Fluoro-4-hydroxy-2-methyl-phenoxy)-2-methyl-propionic acid ethyl ester

생성물 1

HCID 694578272-{3-Fluoro-2-methyl-4-[5-(4-trifluoromethoxy-phenyl)-pent-4-ynyloxy]-phenoxy}-2-methyl-propionic acid ethyl ester

출처 및 근거

ORD 기록
ord-e49dfe4cee8a45cdad59f064e40bd187
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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