Acetone → HCID 57833241, compound
Reaction equation
[C:34]([O:35][BH-:36]([O:37][C:38](=[O:39])[CH3:40])[O:41][C:42](=[O:43])[CH3:44])(=[O:45])[CH3:46].[CH3:1][C:2]([CH3:3])=[O:4].[CH3:51][O-:52].[CH3:54][O-:55].[CH3:56][O-:57].[CH3:58][O-:59].[Cl:48][CH2:49][Cl:50].[NH2:5][CH2:6][c:7]1[n:8][cH:9][cH:10][c:11]([O:13][c:14]2[cH:15][cH:16][c:17]([NH:20][c:21]3[n:22][c:23]([NH2:33])[n:24][c:25](-[c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)[cH:26]3)[cH:18][cH:19]2)[cH:12]1.[Na+:47].[Ti+4:53]>>[CH3:1][CH:2]([CH3:3])[NH:5][CH2:6][c:7]1[n:8][cH:9][cH:10][c:11]([O:13][c:14]2[cH:15][cH:16][c:17]([NH:20][c:21]3[n:22][c:23]([NH2:33])[n:24][c:25](-[c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)[cH:26]3)[cH:18][cH:19]2)[cH:12]1Participants
8
Sources & evidence
- ORD record
- ord-97151be491e042b6a10959365e885d7d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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