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Methanol → 4-(8-{4-[2-(4-Hydroxy-piperidin-1-yl)-thiazol-4-ylmethyl]-[1,4]diazepan-1-yl}-6-methyl-quinolin-7-yloxy)-butyric acid

HRID 157551
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반응식

HRID 157551 반응식
[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:1][O:2][C:3]([CH2:4][CH2:5][CH2:6][O:7][c:8]1[c:9]([CH3:38])[cH:10][c:11]2[cH:12][cH:13][cH:14][n:15][c:16]2[c:17]1[N:18]1[CH2:19][CH2:20][N:21]([CH2:25][c:26]2[n:27][c:28]([N:31]3[CH2:32][CH2:33][CH:34]([OH:37])[CH2:35][CH2:36]3)[s:29][cH:30]2)[CH2:22][CH2:23][CH2:24]1)=[O:39].[CH3:42][OH:43].[Na+:41].[OH-:40]>>[O:2]=[C:3]([CH2:4][CH2:5][CH2:6][O:7][c:8]1[c:9]([CH3:38])[cH:10][c:11]2[cH:12][cH:13][cH:14][n:15][c:16]2[c:17]1[N:18]1[CH2:19][CH2:20][N:21]([CH2:25][c:26]2[n:27][c:28]([N:31]3[CH2:32][CH2:33][CH:34]([OH:37])[CH2:35][CH2:36]3)[s:29][cH:30]2)[CH2:22][CH2:23][CH2:24]1)[OH:39]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 8028TetrahydrofuranHCID 593661684-(8-{4-[2-(4-Hydroxy-piperidin-1-yl)-thiazol-4-ylmethyl]-[1,4]diazepan-1-yl}-6-methyl-quinolin-7-yloxy)-butyric acid methyl ester

생성물 1

HCID 46203411
4-(8-{4-[2-(4-Hydroxy-piperidin-1-yl)-thiazol-4-ylmethyl]-[1,4]diazepan-1-yl}-6-methyl-quinolin-7-yloxy)-butyric acid

출처 및 근거

ORD 기록
ord-6dc4d45301f14db09158097df05113bb
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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