Ethanol → HCID 54210792, compound
Reaction equation
[CH2:40]([CH3:41])[NH:42][CH2:43][CH3:44].[CH3:45][CH2:46][OH:47].[NH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[n:9][cH:10][c:11]2[c:12]([n:13]1)[N:14]([c:27]1[cH:28][c:29]([CH2:33][CH2:34][O:35][S:36]([CH3:37])(=[O:38])=[O:39])[cH:30][cH:31][cH:32]1)[C:15](=[O:26])[N:16]([c:18]1[c:19]([Cl:25])[cH:20][c:21]([Cl:24])[cH:22][cH:23]1)[CH2:17]2>>[NH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[n:9][cH:10][c:11]2[c:12]([n:13]1)[N:14]([c:27]1[cH:28][c:29]([CH2:33][CH2:34][N:42]([CH2:40][CH3:41])[CH2:43][CH3:44])[cH:30][cH:31][cH:32]1)[C:15](=[O:26])[N:16]([c:18]1[c:19]([Cl:25])[cH:20][c:21]([Cl:24])[cH:22][cH:23]1)[CH2:17]2Participants
4
Sources & evidence
- ORD record
- ord-6f6783d0caf44ec4b5de608fe20c7933
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
Loading…