Ethanol → HCID 25152895, compound
Reaction equation
[CH3:41][CH2:42][OH:43].[CH:1]1([n:4]2[c:5](-[c:30]3[cH:31][cH:32][c:33]([O:36][C:37]([F:38])([F:39])[F:40])[cH:34][cH:35]3)[n:6][c:7](-[c:22]3[cH:23][n:24][c:25]([S:28][CH3:29])[n:26][cH:27]3)[c:8]2[C:9](=[O:10])[N:11]2[CH2:12][CH2:13][CH:14]([N:17]3[CH2:18][CH2:19][CH2:20][CH2:21]3)[CH2:15][CH2:16]2)[CH2:2][CH2:3]1.[Ni:44]>>[CH:1]1([n:4]2[c:5](-[c:30]3[cH:31][cH:32][c:33]([O:36][C:37]([F:38])([F:39])[F:40])[cH:34][cH:35]3)[n:6][c:7](-[c:22]3[cH:23][n:24][cH:25][n:26][cH:27]3)[c:8]2[C:9](=[O:10])[N:11]2[CH2:12][CH2:13][CH:14]([N:17]3[CH2:18][CH2:19][CH2:20][CH2:21]3)[CH2:15][CH2:16]2)[CH2:2][CH2:3]1Participants
4
Sources & evidence
- ORD record
- ord-68e35475d8f842dd907a30f8a3e7dfa5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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