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Tributylphosphine → 2-{4-[2-Cyclopropyl-6-(4-trifluoromethoxy-phenyl)-4-trifluoromethyl-pyridin-3-ylmethoxy]-2-methyl-phenoxy}-2-methyl-propionic acid ethyl ester

HRID 164652
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반응식

HRID 164652 반응식
[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([CH3:7])[O:8][c:9]1[c:10]([CH3:16])[cH:11][c:12]([OH:15])[cH:13][cH:14]1)=[O:17].[CH2:44]([P:45]([CH2:46][CH2:47][CH2:48][CH3:49])[CH2:50][CH2:51][CH2:52][CH3:53])[CH2:54][CH2:55][CH3:56].[CH:18]1([c:21]2[n:22][c:23](-[c:33]3[cH:34][cH:35][c:36]([O:39][C:40]([F:41])([F:42])[F:43])[cH:37][cH:38]3)[cH:24][c:25]([C:29]([F:30])([F:31])[F:32])[c:26]2[CH2:27][OH:28])[CH2:19][CH2:20]1>>[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([CH3:7])[O:8][c:9]1[c:10]([CH3:16])[cH:11][c:12]([O:15][CH2:27][c:26]2[c:21]([CH:18]3[CH2:19][CH2:20]3)[n:22][c:23](-[c:33]3[cH:34][cH:35][c:36]([O:39][C:40]([F:41])([F:42])[F:43])[cH:37][cH:38]3)[cH:24][c:25]2[C:29]([F:30])([F:31])[F:32])[cH:13][cH:14]1)=[O:17]
참가 물질출처 및 근거반응 노트

참가 물질

4

반응물 3

HCID 13831TributylphosphineHCID 16756990Ethyl 2-(4-hydroxy-2-methylphenoxy)-2-methylpropanoateHCID 21935660[2-Cyclopropyl-6-(4-trifluoromethoxy-phenyl)-4-trifluoromethyl-pyridin-3-yl]-methanol

생성물 1

HCID 867602722-{4-[2-Cyclopropyl-6-(4-trifluoromethoxy-phenyl)-4-trifluoromethyl-pyridin-3-ylmethoxy]-2-methyl-phenoxy}-2-methyl-propionic acid ethyl ester

출처 및 근거

ORD 기록
ord-a919576c1a0b42c3b8e49fe8ae8f55fc
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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