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Hydrochloric Acid → 2-{3-[1-(3,5-Diethoxy-4-fluoro-benzyl)-piperidin-4-ylcarbamoyl]-phenoxy}-2-methyl-propionic acid

HRID 2337265
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HRID 2337265 반응식
[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([CH3:7])[O:8][c:9]1[cH:10][c:11]([C:15]([NH:16][CH:17]2[CH2:18][CH2:19][N:20]([CH2:23][c:24]3[cH:25][c:26]([O:34][CH2:35][CH3:36])[c:27]([F:33])[c:28]([O:30][CH2:31][CH3:32])[cH:29]3)[CH2:21][CH2:22]2)=[O:37])[cH:12][cH:13][cH:14]1)=[O:38].[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH3:48][OH:49].[ClH:42].[Li+:40].[OH-:39].[OH2:41]>>[O:3]=[C:4]([C:5]([CH3:6])([CH3:7])[O:8][c:9]1[cH:10][c:11]([C:15]([NH:16][CH:17]2[CH2:18][CH2:19][N:20]([CH2:23][c:24]3[cH:25][c:26]([O:34][CH2:35][CH3:36])[c:27]([F:33])[c:28]([O:30][CH2:31][CH3:32])[cH:29]3)[CH2:21][CH2:22]2)=[O:37])[cH:12][cH:13][cH:14]1)[OH:38]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 684554712-{3-[1-(3,5-Diethoxy-4-fluoro-benzyl)-piperidin-4-ylcarbamoyl]-phenoxy}-2-methyl-propionic acid ethyl ester

생성물

1
HCID 684590972-{3-[1-(3,5-Diethoxy-4-fluoro-benzyl)-piperidin-4-ylcarbamoyl]-phenoxy}-2-methyl-propionic acid

출처 및 근거

ORD 기록
ord-3e4dc27851244a88815554900f6c160c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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