Acetone → HCID 69437508, compound
Reaction equation
[C:33]([BH3-:34])#[N:35].[CH2:1]([CH3:2])[c:3]1[n:4][c:5]2[c:6]([n:7][c:8]([CH3:12])[cH:9][c:10]2[CH3:11])[n:13]1[CH2:14][c:15]1[cH:16][cH:17][c:18]([NH:21][CH2:22][CH:23]2[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]2)[cH:19][cH:20]1.[CH3:29][C:30]([CH3:31])=[O:32].[CH3:38][CH2:39][OH:40].[CH3:41][CH:42]([CH3:43])[O-:44].[CH3:45][CH:46]([CH3:47])[O-:48].[CH3:49][CH:50]([CH3:51])[O-:52].[CH3:53][CH:54]([CH3:55])[O-:56].[Na+:36].[OH2:37].[Ti+4:57]>>[CH2:1]([CH3:2])[c:3]1[n:4][c:5]2[c:6]([n:7][c:8]([CH3:12])[cH:9][c:10]2[CH3:11])[n:13]1[CH2:14][c:15]1[cH:16][cH:17][c:18]([NH:21][CH2:22][CH:23]2[CH2:24][CH2:25][N:26]([CH:30]([CH3:29])[CH3:31])[CH2:27][CH2:28]2)[cH:19][cH:20]1Participants
9
Sources & evidence
- ORD record
- ord-8b8975ad89ec4885a76d7eaa287772e6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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