Acetonitrile → HCID 85136525, compound
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][c:6]1[cH:7][c:8]([CH:18]=[CH:19][C:20](=[O:21])[OH:22])[cH:9][c:10]([O:13][CH2:14][CH2:15][CH2:16][CH3:17])[c:11]1[OH:12].[CH3:66][C:67]#[N:68].[CH:51]1([N:52]=[C:53]=[N:54][CH:55]2[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60]2)[CH2:61][CH2:62][CH2:63][CH2:64][CH2:65]1.[NH2:23][CH2:24][CH2:25][c:26]1[cH:27][c:28]([C:37]([CH3:38])([CH3:39])[CH3:40])[c:29]([OH:36])[c:30]([C:32]([CH3:33])([CH3:34])[CH3:35])[cH:31]1.[OH:41][n:42]1[c:43]2[c:44]([cH:45][cH:46][cH:47][cH:48]2)[n:49][n:50]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][c:6]1[cH:7][c:8]([CH:18]=[CH:19][C:20](=[O:22])[NH:23][CH2:24][CH2:25][c:26]2[cH:27][c:28]([C:37]([CH3:38])([CH3:39])[CH3:40])[c:29]([OH:36])[c:30]([C:32]([CH3:33])([CH3:34])[CH3:35])[cH:31]2)[cH:9][c:10]([O:13][CH2:14][CH2:15][CH2:16][CH3:17])[c:11]1[OH:12]Participants
6
Sources & evidence
- ORD record
- ord-42077dc63db24daab0caec391168ab61
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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