ethyl (+/-)-5-decyl-alpha-phenyl-2H-tetrazole-2-acetate → (+/-)-5-(dodecylthio)-alpha-phenyl-2H-tetrazole-2-acetic acid
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH3:12])[S:13][c:14]1[n:15][n:16][n:17]([CH:19]([C:20](=[O:21])[O:22][CH2:23][CH3:24])[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[n:18]1.[CH2:31]([c:32]1[n:33][n:34][n:35]([CH:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[C:43]([O:44][CH2:45][CH3:46])=[O:47])[n:48]1)[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][CH2:56][CH3:57]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH3:12])[S:13][c:14]1[n:15][n:16][n:17]([CH:19]([C:20](=[O:21])[OH:22])[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[n:18]1Participants
3
Sources & evidence
- ORD record
- ord-fd6d48d0326c4128b156a5c0b8f26882
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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