Ethanol → HCID 86749689, compound
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]2[c:8]([n:9]1[CH2:10][c:11]1[cH:12][cH:13][c:14](-[c:17]3[c:18]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[cH:19][cH:20][cH:21][cH:22]3)[cH:15][cH:16]1)[cH:30][c:31]([N:34]([C:35]([CH2:36][CH3:37])=[O:38])[CH3:39])[cH:32][cH:33]2.[CH2:40]([OH:41])[CH3:42].[CH2:43]([Cl:44])[Cl:45]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]2[c:8]([n:9]1[CH2:10][c:11]1[cH:12][cH:13][c:14](-[c:17]3[c:18]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[cH:19][cH:20][cH:21][cH:22]3)[cH:15][cH:16]1)[cH:30][c:31]([N:34]([C:35]([CH3:36])=[O:38])[CH3:39])[cH:32][cH:33]2Participants
4
Sources & evidence
- ORD record
- ord-95253ca512454df28c34d370a4264044
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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