Hydrochloric Acid → cis-4-{[2-(4-Methylsulfanyl-phenoxy)-pyridine-3-carbonyl]-amino}-cyclohexanecarboxylic acid benzyl ester
반응식
[CH2:31]([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[O:38][C:39](=[O:40])[CH:41]1[CH2:42][CH2:43][CH:44]([NH2:47])[CH2:45][CH2:46]1.[CH3:19][CH2:20][N:21]([CH2:22][CH3:23])[CH2:24][CH3:25].[CH3:1][S:2][c:3]1[cH:4][cH:5][c:6]([O:7][c:8]2[c:9]([C:10](=[O:11])[OH:12])[cH:13][cH:14][cH:15][n:16]2)[cH:17][cH:18]1.[CH3:26][S:27]([OH:28])(=[O:29])=[O:30].[CH3:49][N:50]([CH3:51])[CH2:52][CH2:53][CH2:54][N:55]=[C:56]=[N:57][CH2:58][CH3:59].[CH3:70][N:71]([CH3:72])[CH:73]=[O:74].[ClH:48].[OH:60][n:61]1[c:62]2[cH:63][cH:64][cH:65][cH:66][c:67]2[n:68][n:69]1>>[CH3:1][S:2][c:3]1[cH:4][cH:5][c:6]([O:7][c:8]2[c:9]([C:10](=[O:12])[NH:47][CH:44]3[CH2:43][CH2:42][CH:41]([C:39]([O:38][CH2:31][c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)=[O:40])[CH2:46][CH2:45]3)[cH:13][cH:14][cH:15][n:16]2)[cH:17][cH:18]1참가 물질
9
반응물 8
생성물 1
출처 및 근거
- ORD 기록
- ord-840586ded7b44b1fb5ca3fef5abd5a91
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
반응 노트
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