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Methanol → 2-[4'-(2,8-Bis-trifluoromethyl-quinolin-4-yloxymethyl)-biphenyl-4-sulfonylamino]-3-methyl-butyric acid

HRID 2327107
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HRID 2327107 반응식
[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH3:1][O:2][C:3]([CH:4]([CH:5]([CH3:6])[CH3:7])[NH:8][S:9](=[O:10])(=[O:11])[c:12]1[cH:13][cH:14][c:15](-[c:18]2[cH:19][cH:20][c:21]([CH2:24][O:25][c:26]3[cH:27][c:28]([C:40]([F:41])([F:42])[F:43])[n:29][c:30]4[c:31]([C:36]([F:37])([F:38])[F:39])[cH:32][cH:33][cH:34][c:35]34)[cH:22][cH:23]2)[cH:16][cH:17]1)=[O:44].[CH3:45][OH:46].[Na+:48].[OH-:47]>>[O:2]=[C:3]([CH:4]([CH:5]([CH3:6])[CH3:7])[NH:8][S:9](=[O:10])(=[O:11])[c:12]1[cH:13][cH:14][c:15](-[c:18]2[cH:19][cH:20][c:21]([CH2:24][O:25][c:26]3[cH:27][c:28]([C:40]([F:41])([F:42])[F:43])[n:29][c:30]4[c:31]([C:36]([F:37])([F:38])[F:39])[cH:32][cH:33][cH:34][c:35]34)[cH:22][cH:23]2)[cH:16][cH:17]1)[OH:44]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 8028TetrahydrofuranHCID 865986322-[4'-(2,8-Bis-trifluoromethyl-quinolin-4-yloxymethyl)-biphenyl-4-sulfonylamino]-3-methyl-butyric acid methyl ester

생성물 1

HCID 73044432
2-[4'-(2,8-Bis-trifluoromethyl-quinolin-4-yloxymethyl)-biphenyl-4-sulfonylamino]-3-methyl-butyric acid

출처 및 근거

ORD 기록
ord-68f1616bddb941338bfbd4b27705132c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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