Formic Acid → 3-(2-(4-(5-Methylthiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5,5]undecan-9-yl)-ethyl)benzaldehyde
반응식
[CH2:4]([O:6][CH:7]([O:5][CH2:35][CH3:36])[c:8]1[cH:9][c:10]([CH2:11][CH2:12][N:13]2[CH2:14][CH2:15][C:16]3([CH2:17][N:18]([C:22](=[O:23])[c:24]4[s:25][c:26]([CH3:29])[cH:27][cH:28]4)[CH2:19][CH2:20][O:21]3)[CH2:30][CH2:31]2)[cH:32][cH:33][cH:34]1)[CH3:37].[CH:1]([OH:2])=[O:3].[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1.[OH2:43]>>[O:6]=[CH:7][c:8]1[cH:9][c:10]([CH2:11][CH2:12][N:13]2[CH2:14][CH2:15][C:16]3([CH2:17][N:18]([C:22](=[O:23])[c:24]4[s:25][c:26]([CH3:29])[cH:27][cH:28]4)[CH2:19][CH2:20][O:21]3)[CH2:30][CH2:31]2)[cH:32][cH:33][cH:34]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-736f3c16c3534fbbb20277b9027373e0
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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