Tetrahydrofuran → 1-methyl-5-(5-methyl-3-pyridin-2-yl-isoxazol-4-ylmethoxy)-1H-pyrazole-3-carboxylic acid methyl ester

HRID 143254

반응식

HRID 143254 반응식
[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[CH3:12][c:13]1[c:14]([CH2:24][OH:25])[c:15](-[c:18]2[n:19][cH:20][cH:21][cH:22][cH:23]2)[n:16][o:17]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][n:7]([CH3:11])[c:8]([OH:10])[cH:9]1.[O:45]=[C:46]([O:47][CH2:48][CH3:49])[N:50]=[N:51][C:52]([O:53][CH2:54][CH3:55])=[O:56].[c:26]1([P:27]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][n:7]([CH3:11])[c:8]([O:10][CH2:24][c:14]2[c:13]([CH3:12])[o:17][n:16][c:15]2-[c:18]2[n:19][cH:20][cH:21][cH:22][cH:23]2)[cH:9]1

참가 물질

6

출처 및 근거

ORD 기록
ord-865b388e1a7d4c898daf2f7595ef58cc
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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