ethyl (+/-)-5-decyl-alpha-phenyl-2H-tetrazole-2-acetate → (+/-)-5-dodecyl-alpha-pentyl-2H-tetrazole-2-acetic acid
반응식
[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH3:12])[c:13]1[n:14][n:15][n:16]([CH:18]([C:19](=[O:20])[O:21][CH2:22][CH3:23])[CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[n:17]1.[CH2:29]([c:30]1[n:31][n:32][n:33]([CH:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[C:41]([O:42][CH2:43][CH3:44])=[O:45])[n:46]1)[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][CH3:55]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH3:12])[c:13]1[n:14][n:15][n:16]([CH:18]([C:19](=[O:20])[OH:21])[CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[n:17]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-6b9e1e304a9a437891627200e812c3c1
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
반응 노트
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