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Ethanol → 4-(3-{[(5'-Isopropyl-2'-methoxy-4-trifluoromethyl-biphenyl-2-ylmethyl)-(5-morpholin-4-yl-pyrimidin-2-yl)-amino]-methyl}-5-trifluoromethyl-phenoxy)butyric acid

HRID 1558913
노트
인쇄 미리보기

반응식

HRID 1558913 반응식
[CH3:58][CH2:59][OH:60].[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([O:54][CH3:55])[c:8](-[c:10]2[c:11]([CH2:20][N:21]([c:22]3[n:23][cH:24][c:25]([N:28]4[CH2:29][CH2:30][O:31][CH2:32][CH2:33]4)[cH:26][n:27]3)[CH2:34][c:35]3[cH:36][c:37]([O:38][CH2:39][CH2:40][CH2:41][C:42](=[O:43])[O:44][CH2:45][CH3:46])[cH:47][c:48]([C:50]([F:51])([F:52])[F:53])[cH:49]3)[cH:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]2)[cH:9]1.[Na+:57].[O:61]1[CH2:62][CH2:63][CH2:64][CH2:65]1.[OH-:56]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([O:54][CH3:55])[c:8](-[c:10]2[c:11]([CH2:20][N:21]([c:22]3[n:23][cH:24][c:25]([N:28]4[CH2:29][CH2:30][O:31][CH2:32][CH2:33]4)[cH:26][n:27]3)[CH2:34][c:35]3[cH:36][c:37]([O:38][CH2:39][CH2:40][CH2:41][C:42](=[O:43])[OH:44])[cH:47][c:48]([C:50]([F:51])([F:52])[F:53])[cH:49]3)[cH:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]2)[cH:9]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 702EthanolHCID 923Sodium IonHCID 961HydroxideHCID 8028TetrahydrofuranHCID 86626898HCID 86626898, 화합물

생성물 1

HCID 866268994-(3-{[(5'-Isopropyl-2'-methoxy-4-trifluoromethyl-biphenyl-2-ylmethyl)-(5-morpholin-4-yl-pyrimidin-2-yl)-amino]-methyl}-5-trifluoromethyl-phenoxy)butyric acid

출처 및 근거

ORD 기록
ord-ca7f71f0721a45fb8aa82bfde6345ef2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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