Ethanol → HCID 86671287, compound
Reaction equation
[C:23]([O:24][C:25]([NH:26][CH2:27][CH2:28][O:29][c:30]1[cH:31][c:32]([CH2:33][OH:34])[n:35][c:36]([CH2:37][OH:38])[cH:39]1)=[O:40])([CH3:41])([CH3:42])[CH3:43].[C:44]([BH3-:45])#[N:46].[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH3:1][S:2][S:3][C:4]([CH:5]=[O:6])([CH3:7])[CH3:8].[CH3:55][CH:56]([CH3:57])[O-:58].[CH3:60][CH:61]([CH3:62])[O-:63].[CH3:64][CH:65]([CH3:66])[O-:67].[CH3:68][CH:69]([CH3:70])[O-:71].[CH3:72][CH2:73][OH:74].[NH2:9][CH2:10][CH2:11][O:12][c:13]1[cH:14][c:15]([CH2:21][OH:22])[n:16][c:17]([CH2:19][OH:20])[cH:18]1.[Na+:47].[Na+:49].[OH-:48].[Ti+4:59]>>[CH3:1][S:2][S:3][C:4]([CH2:5][NH:9][CH2:10][CH2:11][O:12][c:13]1[cH:14][c:15]([CH2:21][OH:22])[n:16][c:17]([CH2:19][OH:20])[cH:18]1)([CH3:7])[CH3:8]Participants
11
Reactant 10
Product 1
Sources & evidence
- ORD record
- ord-ebc52903c4534619ae5c230776ac0120
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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