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Hydrochloric Acid → 2-[4'-(2-Benzyl-benzofuran-3-yl)-biphenyl-4-yloxy]-3-phenyl-propionic acid

HRID 311426
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HRID 311426 반응식
[CH3:3][O:4][C:5]([CH:6]([CH2:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[O:14][c:15]1[cH:16][cH:17][c:18](-[c:21]2[cH:22][cH:23][c:24](-[c:27]3[c:28]([CH2:36][c:37]4[cH:38][cH:39][cH:40][cH:41][cH:42]4)[o:29][c:30]4[c:31]3[cH:32][cH:33][cH:34][cH:35]4)[cH:25][cH:26]2)[cH:19][cH:20]1)=[O:43].[CH3:44][OH:45].[ClH:46].[Na+:2].[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1.[OH-:1].[OH2:47]>>[O:4]=[C:5]([CH:6]([CH2:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[O:14][c:15]1[cH:16][cH:17][c:18](-[c:21]2[cH:22][cH:23][c:24](-[c:27]3[c:28]([CH2:36][c:37]4[cH:38][cH:39][cH:40][cH:41][cH:42]4)[o:29][c:30]4[c:31]3[cH:32][cH:33][cH:34][cH:35]4)[cH:25][cH:26]2)[cH:19][cH:20]1)[OH:43]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 44274768Methyl 2-[4-[4-(2-benzyl-1-benzofuran-3-yl)phenyl]phenoxy]-3-phenylpropanoate

생성물 1

HCID 9914773
2-[4'-(2-Benzyl-benzofuran-3-yl)-biphenyl-4-yloxy]-3-phenyl-propionic acid

출처 및 근거

ORD 기록
ord-eb2c2f043ee846d28f7a4901d6347d94
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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