Water → HCID 86641289, compound
Reaction equation
[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[CH3:54][C:55]#[N:56].[CH:27]([N:28]([CH2:29][CH3:30])[CH:31]([CH3:32])[CH3:33])([CH3:34])[CH3:35].[Cl:36][c:37]1[n:38][c:39]([CH3:47])[n:40][c:41]([Cl:46])[c:42]1[N+:43](=[O:44])[O-:45].[NH2:1][c:2]1[cH:3][c:4]([O:15][CH2:16][c:17]2[c:18]([F:26])[c:19]([F:25])[cH:20][cH:21][c:22]2[O:23][CH3:24])[c:5]([O:6][CH2:7][C:8](=[O:9])[O:10][CH3:11])[cH:12][c:13]1[Cl:14].[OH2:57]>>[NH:1]([c:2]1[cH:3][c:4]([O:15][CH2:16][c:17]2[c:18]([F:26])[c:19]([F:25])[cH:20][cH:21][c:22]2[O:23][CH3:24])[c:5]([O:6][CH2:7][C:8](=[O:9])[O:10][CH3:11])[cH:12][c:13]1[Cl:14])[c:41]1[n:40][c:39]([CH3:47])[n:38][c:37]([Cl:36])[c:42]1[N+:43](=[O:44])[O-:45]Participants
7
Sources & evidence
- ORD record
- ord-cf0be3d4500c4e3ab76491f7a2674cc3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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