Ethanol → HCID 54001000, compound
Reaction equation
[CH3:38][C:39]#[N:40].[CH3:41][CH2:42][OH:43].[Cl:1][c:2]1[cH:3][n:4]([CH3:35])[c:5]2[c:6]1[N:7]([C:17]([CH2:18][N:19]1[CH2:20][CH2:21][CH:22]([CH2:25][CH2:26][CH2:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33])[CH2:23][CH2:24]1)=[O:34])[c:8]1[c:9]([cH:13][cH:14][cH:15][cH:16]1)[NH:10][C:11]2=[O:12].[Na+:37].[OH-:36].[Pd:44]>>[cH:2]1[cH:3][n:4]([CH3:35])[c:5]2[c:6]1[N:7]([C:17]([CH2:18][N:19]1[CH2:20][CH2:21][CH:22]([CH2:25][CH2:26][CH2:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33])[CH2:23][CH2:24]1)=[O:34])[c:8]1[c:9]([cH:13][cH:14][cH:15][cH:16]1)[NH:10][C:11]2=[O:12]Participants
7
Sources & evidence
- ORD record
- ord-3e27b6a185bb4ebb95430bd6d42723c5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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