Ethanol → HCID 22903515, compound
Reaction equation
[CH3:40][CH2:41][OH:42].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:36]1)[CH:7]([O:30][CH2:31][C:32](=[O:33])[O:34][CH3:35])[CH2:8][CH2:9][CH2:10][N:11]2[C:12]([c:13]1[cH:14][n:15][c:16]([NH:19][C:20]([c:21]2[c:22]([CH3:27])[cH:23][cH:24][cH:25][cH:26]2)=[O:28])[cH:17][cH:18]1)=[O:29].[Na+:38].[OH-:37].[OH2:39]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:36]1)[CH:7]([O:30][CH2:31][C:32](=[O:33])[OH:34])[CH2:8][CH2:9][CH2:10][N:11]2[C:12]([c:13]1[cH:14][n:15][c:16]([NH:19][C:20]([c:21]2[c:22]([CH3:27])[cH:23][cH:24][cH:25][cH:26]2)=[O:28])[cH:17][cH:18]1)=[O:29]Participants
6
Sources & evidence
- ORD record
- ord-4c32a21965474fa5881e1925ed8d44eb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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