Water → HCID 86641282, compound
Reaction equation
[CH3:44][C:45]#[N:46].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[Cl:12][c:13]1[c:14]([NH2:15])[cH:16][c:17]([O:22][CH2:23][c:24]2[c:25]([F:33])[c:26]([F:32])[cH:27][cH:28][c:29]2[O:30][CH3:31])[c:18]([O:20][CH3:21])[cH:19]1.[Cl:1][c:2]1[n:3][cH:4][n:5][c:6]([Cl:11])[c:7]1[N+:8](=[O:9])[O-:10].[OH2:43]>>[c:2]1([NH:15][c:14]2[c:13]([Cl:12])[cH:19][c:18]([O:20][CH3:21])[c:17]([O:22][CH2:23][c:24]3[c:25]([F:33])[c:26]([F:32])[cH:27][cH:28][c:29]3[O:30][CH3:31])[cH:16]2)[n:3][cH:4][n:5][c:6]([Cl:11])[c:7]1[N+:8](=[O:9])[O-:10]Participants
7
Sources & evidence
- ORD record
- ord-39b0b1c40212464eb20a9347416c818e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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