Trimethylamine oxide → HCID 22614849, compound
Reaction equation
[CH3:34][N+:35]([CH3:36])([CH3:37])[O-:38].[CH:1]12[CH2:2][CH2:3][CH2:4][CH:5]([BH:6]1)[CH2:7][CH2:8][CH2:9]2.[Cl:10][c:11]1[c:12](-[c:26]2[n:27][n:28][n:29][n:30]2[CH2:31][CH:32]=[CH2:33])[c:13]2[n:14][c:15]([O:24][CH3:25])[c:16]([O:22][CH3:23])[n:17][c:18]2[cH:19][c:20]1[Cl:21].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1>>[Cl:10][c:11]1[c:12](-[c:26]2[n:27][n:28][n:29][n:30]2[CH2:31][CH2:32][CH2:33][OH:38])[c:13]2[n:14][c:15]([O:24][CH3:25])[c:16]([O:22][CH3:23])[n:17][c:18]2[cH:19][c:20]1[Cl:21]Participants
5
Sources & evidence
- ORD record
- ord-89dbf5ef138c49b3966c6c8a810f2330
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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