Ethanol → HCID 178474009, compound
Reaction equation
[C:44]([BH3-:45])#[N:46].[CH3:48][CH2:49][OH:50].[F:17][c:18]1[cH:19][cH:20][c:21]([CH2:22][N:23]([C:24](=[O:25])[C:26]2([c:33]3[cH:34][c:35]([Cl:40])[c:36]([Cl:39])[cH:37][cH:38]3)[CH:27]([CH:29]=[CH:30][CH:31]=[O:32])[CH2:28]2)[CH3:41])[cH:42][cH:43]1.[Na+:47].[c:1]1([C:7]2([NH:13][C:14]([CH3:15])=[O:16])[CH2:8][CH2:9][NH:10][CH2:11][CH2:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([C:7]2([NH:13][C:14]([CH3:15])=[O:16])[CH2:8][CH2:9][N:10]([CH2:31][CH:30]=[CH:29][CH:27]3[C:26]([C:24]([N:23]([CH2:22][c:21]4[cH:20][cH:19][c:18]([F:17])[cH:43][cH:42]4)[CH3:41])=[O:25])([c:33]4[cH:34][c:35]([Cl:40])[c:36]([Cl:39])[cH:37][cH:38]4)[CH2:28]3)[CH2:11][CH2:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
6
Sources & evidence
- ORD record
- ord-461f89697da84a3bbc95bb9adb5acfe5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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