Ethanol → HCID 22125036, compound
Reaction equation
[CH3:52][CH2:53][OH:54].[NH2:50][NH2:51].[NH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[n:9][cH:10][c:11]2[c:12]([n:13]1)[N:14]([c:30]1[cH:31][c:32]([CH2:36][CH2:37][N:38]3[C:39](=[O:40])[c:41]4[cH:42][cH:43][cH:44][cH:45][c:46]4[C:47]3=[O:48])[cH:33][cH:34][cH:35]1)[C:15](=[O:29])[N:16]([c:18]1[c:19]([Cl:28])[cH:20][c:21]([C:24]([F:25])([F:26])[F:27])[cH:22][cH:23]1)[CH2:17]2.[OH2:49]>>[NH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[n:9][cH:10][c:11]2[c:12]([n:13]1)[N:14]([c:30]1[cH:31][c:32]([CH2:36][CH2:37][NH2:38])[cH:33][cH:34][cH:35]1)[C:15](=[O:29])[N:16]([c:18]1[c:19]([Cl:28])[cH:20][c:21]([C:24]([F:25])([F:26])[F:27])[cH:22][cH:23]1)[CH2:17]2Participants
5
Sources & evidence
- ORD record
- ord-e182ab3e69c34d5d9bb03d1577d88a82
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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