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Ethanol → 2-{4-[2-(2-Biphenyl-4-yl-5-Methyloxazol-4-yl)-Ethoxy]-2-Cyclohexylmethyl-phenoxy}-2-Methyl-Propionic Acid

HRID 1142395
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HRID 1142395 반응식
[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([CH3:7])[O:8][c:9]1[c:10]([CH2:36][CH:37]2[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]2)[cH:11][c:12]([O:15][CH2:16][CH2:17][c:18]2[n:19][c:20](-[c:24]3[cH:25][cH:26][c:27](-[c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[cH:28][cH:29]3)[o:21][c:22]2[CH3:23])[cH:13][cH:14]1)=[O:43].[CH3:46][CH2:47][OH:48].[Na+:45].[OH-:44]>>[O:3]=[C:4]([C:5]([CH3:6])([CH3:7])[O:8][c:9]1[c:10]([CH2:36][CH:37]2[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]2)[cH:11][c:12]([O:15][CH2:16][CH2:17][c:18]2[n:19][c:20](-[c:24]3[cH:25][cH:26][c:27](-[c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[cH:28][cH:29]3)[o:21][c:22]2[CH3:23])[cH:13][cH:14]1)[OH:43]
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 702EthanolHCID 923Sodium IonHCID 961HydroxideHCID 129668392-{4-[2-(2-Biphenyl-4-yl-5-methyloxazol-4-yl)-ethoxy]-2-cyclohexylmethyl-phenoxy}-2-methyl-propionic acid ethyl ester

생성물 1

HCID 129668402-{4-[2-(2-Biphenyl-4-yl-5-Methyloxazol-4-yl)-Ethoxy]-2-Cyclohexylmethyl-phenoxy}-2-Methyl-Propionic Acid

출처 및 근거

ORD 기록
ord-9640440908424e74badd67f64bd06fec
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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