tert-Butanol → HCID 25115011, compound
Reaction equation
[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[CH3:54][C:55]([OH:56])([CH3:57])[CH3:58].[F:1][c:2]1[c:3](-[c:9]2[cH:10][c:11]([C:27]([OH:28])=[O:29])[n:12][c:13]3[c:14](-[c:19]4[c:20]([F:26])[cH:21][cH:22][cH:23][c:24]4[F:25])[n:15][cH:16][cH:17][c:18]23)[cH:4][cH:5][c:6]([F:8])[cH:7]1.[c:30]1([P:31]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)(=[O:40])[N:44]=[N+:32]=[N-:33])[cH:41][cH:42][cH:43][cH:45][cH:46]1>>[F:1][c:2]1[c:3](-[c:9]2[cH:10][c:11]([NH2:44])[n:12][c:13]3[c:14](-[c:19]4[c:20]([F:26])[cH:21][cH:22][cH:23][c:24]4[F:25])[n:15][cH:16][cH:17][c:18]23)[cH:4][cH:5][c:6]([F:8])[cH:7]1Participants
5
Sources & evidence
- ORD record
- ord-f568e98d2ce1429782e7d1f4f8afdb17
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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