Ammonium → [5-(4-{1-ethyl-1-[4-(1-hydroxy-cyclohexylethynyl)-3-methyl-phenyl]-propyl}-phenyl)-pyridin-3-yl]-acetic Acid
반응식
[CH3:3][O:4][C:5]([CH2:6][c:7]1[cH:8][n:9][cH:10][c:11](-[c:13]2[cH:14][cH:15][c:16]([C:19]([CH2:20][CH3:21])([c:22]3[cH:23][c:24]([CH3:37])[c:25]([C:28]#[C:29][C:30]4([OH:36])[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]4)[cH:26][cH:27]3)[CH2:38][CH3:39])[cH:17][cH:18]2)[cH:12]1)=[O:40].[CH3:43][OH:44].[Cl-:41].[NH4+:42].[Na+:2].[OH-:1]>>[O:4]=[C:5]([CH2:6][c:7]1[cH:8][n:9][cH:10][c:11](-[c:13]2[cH:14][cH:15][c:16]([C:19]([CH2:20][CH3:21])([c:22]3[cH:23][c:24]([CH3:37])[c:25]([C:28]#[C:29][C:30]4([OH:36])[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]4)[cH:26][cH:27]3)[CH2:38][CH3:39])[cH:17][cH:18]2)[cH:12]1)[OH:40]참가 물질
7
반응물 6
생성물 1
출처 및 근거
- ORD 기록
- ord-6aa6bc93952044acaf37cda68738ae7a
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
반응 노트
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