Ethanol → HCID 178521326, compound
Reaction equation
[CH3:50][CH2:51][OH:52].[NH2:12][CH:13]([CH2:14][OH:15])[CH:16]([CH:17]([CH2:18][c:19]1[cH:20][c:21]([F:26])[cH:22][c:23]([F:25])[cH:24]1)[N:27]([CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[CH2:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[O:42][CH2:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][CH:9]1[O:10][CH2:11]1>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][CH:9]([OH:10])[CH2:11][NH:12][CH:13]([CH2:14][OH:15])[CH:16]([CH:17]([CH2:18][c:19]1[cH:20][c:21]([F:26])[cH:22][c:23]([F:25])[cH:24]1)[N:27]([CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[CH2:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[O:42][CH2:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1Participants
4
Sources & evidence
- ORD record
- ord-8ffda30e727e4c028cc4534157ad4599
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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