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Chloride → 5-Bromo-6-(3-methyl-oxetan-3-ylmethoxy)-pyridine-2-carboxylic acid (1-methyl-1-thiazol-2-yl-ethyl)-amide

HRID 311348
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반응식

HRID 311348 반응식
[Br:1][c:2]1[cH:3][cH:4][c:5]([C:15](=[O:16])[OH:17])[n:6][c:7]1[O:8][CH2:9][C:10]1([CH3:14])[CH2:11][O:12][CH2:13]1.[CH3:19][O:20][c:21]1[n:22][c:23]([O:24][CH3:25])[n:26][c:27]([N+:28]2([CH3:29])[CH2:30][CH2:31][O:32][CH2:33][CH2:34]2)[n:35]1.[CH3:45][C:46]([NH2:47])([c:48]1[s:49][cH:50][cH:51][n:52]1)[CH3:53].[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[Cl-:18].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58]>>[Br:1][c:2]1[cH:3][cH:4][c:5]([C:15](=[O:17])[NH:47][C:46]([CH3:45])([c:48]2[s:49][cH:50][cH:51][n:52]2)[CH3:53])[n:6][c:7]1[O:8][CH2:9][C:10]1([CH3:14])[CH2:11][O:12][CH2:13]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 312ChlorideHCID 6228DimethylformamideHCID 81531DiisopropylethylamineHCID 27340604-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-iumHCID 282862032-(1,3-Thiazol-2-yl)propan-2-amineHCID 710878905-Bromo-6-(3-methyl-oxetan-3-ylmethoxy)-pyridine-2-carboxylic acid

생성물 1

HCID 71093548
5-Bromo-6-(3-methyl-oxetan-3-ylmethoxy)-pyridine-2-carboxylic acid (1-methyl-1-thiazol-2-yl-ethyl)-amide

출처 및 근거

ORD 기록
ord-c99044e8b78d42ac85a6aa1e4e53933b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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