1,4-Dioxane → HCID 54279591, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([Cl:14])[n:8][c:9]([S:12][CH3:13])[n:10][cH:11]1.[O:26]1[CH2:27][CH2:28][O:29][CH2:30][CH2:31]1.[OH:15][CH:16]([CH2:17][N:18]1[CH2:19][CH2:20][NH:21][CH2:22][CH2:23]1)[CH2:24][OH:25]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([N:21]2[CH2:20][CH2:19][N:18]([CH2:17][CH:16]([OH:15])[CH2:24][OH:25])[CH2:23][CH2:22]2)[n:8][c:9]([S:12][CH3:13])[n:10][cH:11]1Participants
4
Sources & evidence
- ORD record
- ord-6771711c8fb648f79cd8716e51034708
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
Loading…