5-Chloromethyl-4-cyclopropyl-2-(4-trifluoromethyl-phenyl)-pyrimidine → 3-{4-[4-Cyclopropyl-2-(4-trifluoromethyl-phenyl)-pyrimidin-5-ylmethoxy]-naphthalen-1-yl}-propionic acid ethyl ester

반응식

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

참가 물질

반응물 2

HCID 219359605-Chloromethyl-4-cyclopropyl-2-(4-trifluoromethyl-phenyl)-pyrimidine

HCID 58566550Ethyl 3-(4-hydroxynaphthalen-1-yl)propanoate

생성물 1

HCID 690407883-{4-[4-Cyclopropyl-2-(4-trifluoromethyl-phenyl)-pyrimidin-5-ylmethoxy]-naphthalen-1-yl}-propionic acid ethyl ester

출처 및 근거

ORD 기록: ord-6eff00ebf14f4202b5157d524bc5f45f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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