Toluene → O-ethyl S-propyl O-(4-nitroindan-1-on-7-yl) thiophosphate
Reaction equation
[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[N+:11](=[O:12])([O-:13])[c:14]1[c:15]2[c:19]([c:20]([OH:23])[cH:21][cH:22]1)[C:18](=[O:24])[CH2:17][CH2:16]2.[P:1](=[O:2])([O:3][CH2:4][CH3:5])([S:6][CH2:7][CH2:8][CH3:9])[Cl:10]>>[P:1](=[O:2])([O:3][CH2:4][CH3:5])([S:6][CH2:7][CH2:8][CH3:9])[O:23][c:20]1[c:19]2[c:15]([c:14]([N+:11](=[O:12])[O-:13])[cH:22][cH:21]1)[CH2:16][CH2:17][C:18]2=[O:24]Participants
5
Sources & evidence
- ORD record
- ord-705115cae9514bd6bdc23c3f0329ad5b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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