Methanol → N1-(3-Fluoro-4-(2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yloxy)phenyl)-N3-(2-methoxyphenyl)malonamide

반응식

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

참가 물질

반응물 2

HCID 887Methanol

HCID 58790105N1-(4-(2-(3-(tert-Butyldimethylsilyloxy)azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yloxy)-3-fluorophenyl)-N3-(2-methoxyphenyl)malonamide

생성물 1

HCID 16041240N1-(3-Fluoro-4-(2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yloxy)phenyl)-N3-(2-methoxyphenyl)malonamide

출처 및 근거

ORD 기록: ord-7ad8d43e678946218cfae210d68b43ed
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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