Isopropanol → HCID 68707404, compound
Reaction equation
[CH3:1][S:2][C:3](=[CH:4][N+:5](=[O:6])[O-:7])[S:8][CH3:9].[CH:38]([OH:39])([CH3:40])[CH3:41].[Cl:10][c:11]1[cH:12][cH:13][c:14]([O:15][c:16]2[cH:17][cH:18][c:19]([NH:22][CH:23]([CH2:24][NH2:25])[c:26]3[cH:27][c:28]([C:32]([F:33])([F:34])[F:35])[cH:29][cH:30][cH:31]3)[cH:20][cH:21]2)[cH:36][cH:37]1>>[C:3]1(=[CH:4][N+:5](=[O:6])[O-:7])[N:22]([c:19]2[cH:18][cH:17][c:16]([O:15][c:14]3[cH:13][cH:12][c:11]([Cl:10])[cH:37][cH:36]3)[cH:21][cH:20]2)[CH:23]([c:26]2[cH:27][c:28]([C:32]([F:33])([F:34])[F:35])[cH:29][cH:30][cH:31]2)[CH2:24][NH:25]1Participants
4
Sources & evidence
- ORD record
- ord-41030b73d96d4985bdf79bce6289ab21
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
Loading…