Ethanol → HCID 178485603, compound
Reaction equation
[C:31]([CH3:32])([CH3:33])([CH3:34])[O:35][C:36]([CH2:37][O:38][c:39]1[c:40]([CH2:46][NH2:47])[cH:41][c:42]([Cl:45])[cH:43][cH:44]1)=[O:48].[CH2:1]([N:2]([CH2:3][CH3:4])[CH2:5][CH3:6])[CH3:7].[CH3:49][CH2:50][OH:51].[CH3:8][NH:9][C:10](=[O:11])[CH:12]1[O:13][CH:14]([n:21]2[c:22]3[n:23][cH:24][n:25][c:26]([Cl:30])[c:27]3[n:28][cH:29]2)[CH:15]([OH:20])[CH:16]1[N:17]=[N+:18]=[N-:19]>>[CH3:8][NH:9][C:10](=[O:11])[CH:12]1[O:13][CH:14]([n:21]2[c:22]3[n:23][cH:24][n:25][c:26]([NH:47][CH2:46][c:40]4[c:39]([O:38][CH2:37][C:36]([O:35][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:48])[cH:44][cH:43][c:42]([Cl:45])[cH:41]4)[c:27]3[n:28][cH:29]2)[CH:15]([OH:20])[CH:16]1[N:17]=[N+:18]=[N-:19]Participants
5
Sources & evidence
- ORD record
- ord-d030e431a81d4fe487fc8fc4a94b8dc9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
Loading…