Ethanol → HCID 22405435, compound
Reaction equation
[CH2:1]([CH2:2][CH3:3])[c:4]1[n:5][c:6]2[c:7]([n:8]1[CH2:9][c:10]1[cH:11][cH:12][c:13](-[c:16]3[c:17]([C:22](=[O:23])[O:24][CH3:25])[cH:18][cH:19][cH:20][cH:21]3)[cH:14][cH:15]1)[cH:26][c:27]([NH:31][c:32]1[nH:33][cH:34][cH:35][c:36]1[N+:37](=[O:38])[O-:39])[cH:28][c:29]2[CH3:30].[CH3:42][CH2:43][OH:44].[Na+:41].[OH-:40]>>[CH2:1]([CH2:2][CH3:3])[c:4]1[n:5][c:6]2[c:7]([n:8]1[CH2:9][c:10]1[cH:11][cH:12][c:13](-[c:16]3[c:17]([C:22](=[O:23])[OH:24])[cH:18][cH:19][cH:20][cH:21]3)[cH:14][cH:15]1)[cH:26][c:27]([NH:31][c:32]1[nH:33][cH:34][cH:35][c:36]1[N+:37](=[O:38])[O-:39])[cH:28][c:29]2[CH3:30]Participants
5
Sources & evidence
- ORD record
- ord-cb36e627d40748188428cfcd7919520b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
Loading…