Ethanol → HCID 86597792, compound
Reaction equation
[CH2:1]([CH:2]=[CH2:3])[c:4]1[c:5]([O:31][CH2:32][C:33](=[O:34])[O:35][CH2:36][CH3:37])[cH:6][cH:7][c:8]2[c:9]([CH2:13][CH2:14][c:15]3[n:16][c:17](-[c:23]4[c:24]([Cl:30])[cH:25][c:26]([Cl:29])[cH:27][cH:28]4)[o:18][c:19]3[CH:20]([CH3:21])[CH3:22])[n:10][o:11][c:12]12.[CH3:38][CH2:39][OH:40]>>[CH2:1]([CH2:2][CH3:3])[c:4]1[c:5]([O:31][CH2:32][C:33](=[O:34])[O:35][CH2:36][CH3:37])[cH:6][cH:7][c:8]2[c:9]([CH2:13][CH2:14][c:15]3[n:16][c:17](-[c:23]4[c:24]([Cl:30])[cH:25][c:26]([Cl:29])[cH:27][cH:28]4)[o:18][c:19]3[CH:20]([CH3:21])[CH3:22])[n:10][o:11][c:12]12Participants
3
Sources & evidence
- ORD record
- ord-13f07ad19a634693a7734ed4df32789c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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