Water → HCID 178483499, compound
Reaction equation
[C:47]([c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1)(=[O:54])[Cl:55].[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH3:57][C:58]#[N:59].[Cl:1][c:2]1[cH:3][c:4]([C:9]([CH2:10][N:11]([C:12]([CH2:13][C:14]([F:15])([F:16])[F:17])=[O:18])[CH3:19])([CH2:20][CH2:21][N:22]2[CH2:23][CH2:24][C:25]3([NH:26][C:27](=[O:35])[CH2:28][c:29]4[cH:30][cH:31][cH:32][cH:33][c:34]43)[CH2:36][CH2:37]2)[NH:38][CH3:39])[cH:5][cH:6][c:7]1[Cl:8].[OH2:56]>>[Cl:1][c:2]1[cH:3][c:4]([C:9]([CH2:10][N:11]([C:12]([CH2:13][C:14]([F:15])([F:16])[F:17])=[O:18])[CH3:19])([CH2:20][CH2:21][N:22]2[CH2:23][CH2:24][C:25]3([NH:26][C:27](=[O:35])[CH2:28][c:29]4[cH:30][cH:31][cH:32][cH:33][c:34]43)[CH2:36][CH2:37]2)[N:38]([CH3:39])[C:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)=[O:54])[cH:5][cH:6][c:7]1[Cl:8]Participants
6
Sources & evidence
- ORD record
- ord-daf0a02b72014fe1a48e3d843ffd533e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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