Ethanol → HCID 9885864, compound
Reaction equation
[CH3:37][CH2:38][OH:39].[Cl:1][c:2]1[c:3]([C:18]#[N:19])[cH:4][n:5][c:6]2[cH:7][c:8]([O:15][CH2:16][CH3:17])[c:9]([O:12][CH2:13][CH3:14])[cH:10][c:11]12.[NH2:20][c:21]1[cH:22][cH:23][c:24]2[cH:25][n:26][nH:27][c:28]2[cH:29]1.[Na+:30].[Na+:31].[O-:32][C:33](=[O:34])[O-:35].[OH2:36]>>[c:2]1([NH:20][c:21]2[cH:22][cH:23][c:24]3[cH:25][n:26][nH:27][c:28]3[cH:29]2)[c:3]([C:18]#[N:19])[cH:4][n:5][c:6]2[cH:7][c:8]([O:15][CH2:16][CH3:17])[c:9]([O:12][CH2:13][CH3:14])[cH:10][c:11]12Participants
7
Sources & evidence
- ORD record
- ord-5dfd8fb1ca9b4d46908c3da74581e748
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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