Ethanol → HCID 136411679, compound
Reaction equation
[Br:1][c:2]1[c:3]([OH:22])[c:4]([C:9]([CH2:10][CH2:11][c:12]2[cH:13][cH:14][c:15]([N+:18](=[O:19])[O-:20])[cH:16][cH:17]2)=[O:21])[cH:5][c:6]([CH3:8])[cH:7]1.[CH3:43][CH2:44][OH:45].[CH:23]([N:24]([CH:25]([CH3:26])[CH3:27])[CH2:28][CH3:29])([CH3:30])[CH3:31].[NH:32]([NH2:33])[c:34]1[cH:35][cH:36][c:37]([C:38](=[NH:39])[NH2:40])[cH:41][cH:42]1>>[Br:1][c:2]1[c:3]([OH:22])[c:4]([C:9]([CH2:10][CH2:11][c:12]2[cH:13][cH:14][c:15]([N+:18](=[O:19])[O-:20])[cH:16][cH:17]2)=[N:33][NH:32][c:34]2[cH:35][cH:36][c:37]([C:38](=[NH:39])[NH2:40])[cH:41][cH:42]2)[cH:5][c:6]([CH3:8])[cH:7]1Participants
5
Sources & evidence
- ORD record
- ord-78deb86b974f4c98bf1c78e4546efb5a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
- DOI