Ethanol → HCID 19700421, compound
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[c:11]1[cH:12][c:13]([NH:17][C:18]([NH:19][CH2:20][C:21](=[O:22])[N:23]2[CH:24]([C:44]([NH:45][CH2:46][CH2:47][C:48]([CH3:49])([CH3:50])[CH3:51])=[O:52])[CH2:25][CH:26]([S:35](=[O:36])(=[O:37])[N:38]3[CH2:39][CH2:40][O:41][CH2:42][CH2:43]3)[CH:27]2[c:28]2[c:29]([F:34])[cH:30][cH:31][cH:32][cH:33]2)=[O:53])[cH:14][cH:15][cH:16]1.[CH2:59]([Cl:60])[Cl:61].[CH3:54][CH2:55][OH:56].[CH3:57][OH:58]>>[O:8]=[C:9]([OH:10])[c:11]1[cH:12][c:13]([NH:17][C:18]([NH:19][CH2:20][C:21](=[O:22])[N:23]2[CH:24]([C:44]([NH:45][CH2:46][CH2:47][C:48]([CH3:49])([CH3:50])[CH3:51])=[O:52])[CH2:25][CH:26]([S:35](=[O:36])(=[O:37])[N:38]3[CH2:39][CH2:40][O:41][CH2:42][CH2:43]3)[CH:27]2[c:28]2[c:29]([F:34])[cH:30][cH:31][cH:32][cH:33]2)=[O:53])[cH:14][cH:15][cH:16]1Participants
5
Sources & evidence
- ORD record
- ord-e7da586aabc14a4c9aa2e47b1cd21361
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
Loading…