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Methanol → (4'-{4-[1-(2-Chloro-phenyl)-ethoxycarbonylamino]-3-methyl-isoxazol-5-yl}-6-methoxy-biphenyl-3-yl)-acetic acid

HRID 1133716
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반응식

HRID 1133716 반응식
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[cH:7][c:8](-[c:14]2[cH:15][cH:16][c:17](-[c:20]3[c:21]([NH:26][C:27](=[O:28])[O:29][CH:30]([CH3:31])[c:32]4[c:33]([Cl:38])[cH:34][cH:35][cH:36][cH:37]4)[c:22]([CH3:25])[n:23][o:24]3)[cH:18][cH:19]2)[c:9]([O:12][CH3:13])[cH:10][cH:11]1)=[O:39].[CH3:42][OH:43].[Li+:41].[OH-:40].[OH2:44]>>[O:3]=[C:4]([CH2:5][c:6]1[cH:7][c:8](-[c:14]2[cH:15][cH:16][c:17](-[c:20]3[c:21]([NH:26][C:27](=[O:28])[O:29][CH:30]([CH3:31])[c:32]4[c:33]([Cl:38])[cH:34][cH:35][cH:36][cH:37]4)[c:22]([CH3:25])[n:23][o:24]3)[cH:18][cH:19]2)[c:9]([O:12][CH3:13])[cH:10][cH:11]1)[OH:39]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 28486Lithium ionHCID 67351947(4'-{4-[1-(2-Chloro-phenyl)-ethoxycarbonylamino]-3-methyl-isoxazol-5-yl}-6-methoxy-biphenyl-3-yl)-acetic acid ethyl ester

생성물 1

HCID 46239905(4'-{4-[1-(2-Chloro-phenyl)-ethoxycarbonylamino]-3-methyl-isoxazol-5-yl}-6-methoxy-biphenyl-3-yl)-acetic acid

출처 및 근거

ORD 기록
ord-f83dcfa3e1d042358d51439e6b0138b1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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