Ethanol → HCID 21180657, compound
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([CH:10]([CH2:11][CH:12]1[CH2:13][CH2:14][CH2:15]1)[N:16]1[CH2:17][CH:18]([CH2:28][N:29]2[CH2:30][CH2:31][CH:32]([CH2:35][CH2:36][C:37]([c:38]3[cH:39][cH:40][c:41]([F:44])[cH:42][cH:43]3)([F:45])[F:46])[CH2:33][CH2:34]2)[CH:19]([c:21]2[cH:22][c:23]([F:27])[cH:24][cH:25][cH:26]2)[CH2:20]1)=[O:47].[CH3:48][CH2:49][OH:50]>>[O:8]=[C:9]([CH:10]([CH2:11][CH:12]1[CH2:13][CH2:14][CH2:15]1)[N:16]1[CH2:17][CH:18]([CH2:28][N:29]2[CH2:30][CH2:31][CH:32]([CH2:35][CH2:36][C:37]([c:38]3[cH:39][cH:40][c:41]([F:44])[cH:42][cH:43]3)([F:45])[F:46])[CH2:33][CH2:34]2)[CH:19]([c:21]2[cH:22][c:23]([F:27])[cH:24][cH:25][cH:26]2)[CH2:20]1)[OH:47]Participants
3
Sources & evidence
- ORD record
- ord-142d5a5b9b0642bb9fa99b7a32c2a002
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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