Ethanol → HCID 68921180, compound
Reaction equation
[CH2:1]([O:3][C:4](=[O:2])[CH2:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12]([C:15](=[O:16])[N:17]2[CH:18]([CH3:38])[CH2:19][CH:20]([N:27]([c:28]3[cH:29][cH:30][c:31]([Cl:34])[cH:32][cH:33]3)[C:35]([CH3:36])=[O:37])[c:21]3[cH:22][cH:23][cH:24][cH:25][c:26]32)[cH:13][cH:14]1)[CH3:39].[CH2:63]([CH3:64])[NH:65][CH2:66][CH3:67].[CH3:52][CH2:53][N:54]=[C:55]=[N:56][CH2:57][CH2:58][CH2:59][N:60]([CH3:61])[CH3:62].[CH3:73][CH2:74][O:75][C:76](=[O:77])[CH3:78].[CH3:84][CH2:85][OH:86].[Na+:41].[O:68]1[CH2:69][CH2:70][CH2:71][CH2:72]1.[O:79]=[CH:80][N:81]([CH3:82])[CH3:83].[OH-:40].[OH:42][n:43]1[c:44]2[c:45]([cH:46][cH:47][cH:48][cH:49]2)[n:50][n:51]1>>[O:3]=[C:4]([CH2:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12]([C:15](=[O:16])[N:17]2[CH:18]([CH3:38])[CH2:19][CH:20]([N:27]([c:28]3[cH:29][cH:30][c:31]([Cl:34])[cH:32][cH:33]3)[C:35]([CH3:36])=[O:37])[c:21]3[cH:22][cH:23][cH:24][cH:25][c:26]32)[cH:13][cH:14]1)[N:65]([CH2:63][CH3:64])[CH2:66][CH3:67]Participants
11
Reactant 10
Product 1
Sources & evidence
- ORD record
- ord-df1747d782f3480fac7bf7d546d1412b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
Loading…