Water → HCID 87237903, compound
Reaction equation
[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][c:8]([NH:12][c:13]3[n:14][c:15]([O:21][CH:22]([CH2:23][N:24]([CH3:25])[CH3:26])[CH3:27])[c:16]([C:19]#[N:20])[n:17][cH:18]3)[n:9][cH:10][c:11]12.[Cl:39][CH2:40][Cl:41].[OH2:42].[OH:28][O:29][C:30]([c:31]1[cH:32][c:33]([Cl:34])[cH:35][cH:36][cH:37]1)=[O:38]>>[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][c:8]([NH:12][c:13]3[n:14][c:15]([O:21][CH:22]([CH2:23][N+:24]([CH3:25])([CH3:26])[O-:28])[CH3:27])[c:16]([C:19]#[N:20])[n:17][cH:18]3)[n:9][cH:10][c:11]12Participants
5
Sources & evidence
- ORD record
- ord-b06a00ffd2f445e3b7c076c54e915c8a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
Loading…