Ethanol → HCID 21182312, compound
Reaction equation
[C:38]([BH3-:39])#[N:40].[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH3:6])[O:7][c:8]1[cH:9][cH:10][c:11]([N:14]2[CH2:15][CH2:16][C:17](=[O:20])[CH2:18][CH2:19]2)[cH:12][cH:13]1.[CH2:21]([CH3:22])[O:23][C:24](=[O:25])[c:26]1[cH:27][cH:28][c:29]([N:32]2[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]2)[cH:30][cH:31]1.[CH3:43][CH2:44][OH:45].[CH3:46][CH:47]([CH3:48])[O-:49].[CH3:51][CH:52]([CH3:53])[O-:54].[CH3:55][CH:56]([CH3:57])[O-:58].[CH3:59][CH:60]([CH3:61])[O-:62].[Na+:41].[OH2:42].[Ti+4:50]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH3:6])[O:7][c:8]1[cH:9][cH:10][c:11]([N:14]2[CH2:15][CH2:16][CH:17]([N:35]3[CH2:34][CH2:33][N:32]([c:29]4[cH:28][cH:27][c:26]([C:24]([O:23][CH2:21][CH3:22])=[O:25])[cH:31][cH:30]4)[CH2:37][CH2:36]3)[CH2:18][CH2:19]2)[cH:12][cH:13]1Participants
9
Sources & evidence
- ORD record
- ord-e204b320a37641b5936941062a934128
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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