Ethanol → HCID 178441689, compound
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6]([CH2:26][c:27]2[cH:28][cH:29][c:30](-[c:33]3[c:34](-[c:39]4[n:40][n:41][n:42][nH:43]4)[cH:35][cH:36][cH:37][cH:38]3)[cH:31][cH:32]2)[c:7]([C:11](=[O:12])[O:13][CH:14]([C:15](=[O:16])[O:17][CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[CH3:25])[c:8]([Cl:10])[n:9]1.[CH3:44][CH2:45][OH:46]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6]([CH2:26][c:27]2[cH:28][cH:29][c:30](-[c:33]3[c:34](-[c:39]4[n:40][n:41][n:42][nH:43]4)[cH:35][cH:36][cH:37][cH:38]3)[cH:31][cH:32]2)[c:7]([C:11](=[O:12])[O:13][CH:14]([C:15](=[O:16])[OH:17])[CH3:25])[c:8]([Cl:10])[n:9]1Participants
3
Sources & evidence
- ORD record
- ord-f060d8b750a2449b94a81e0f9aa783fe
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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