Water → HCID 59451431, compound
Reaction equation
[CH:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43].[Cl:21][c:22]1[c:23]2[cH:24][c:25]([C:32](=[O:33])[Cl:34])[nH:26][c:27]2[cH:28][c:29]([Cl:31])[cH:30]1.[Cl:44][CH2:45][Cl:46].[NH2:1][CH2:2][c:3]1[c:4]([F:20])[c:5]([O:10][c:11]2[cH:12][c:13]([C:14]#[N:15])[cH:16][c:17]([Cl:19])[cH:18]2)[c:6]([Cl:9])[cH:7][cH:8]1.[OH2:47]>>[NH:1]([CH2:2][c:3]1[c:4]([F:20])[c:5]([O:10][c:11]2[cH:12][c:13]([C:14]#[N:15])[cH:16][c:17]([Cl:19])[cH:18]2)[c:6]([Cl:9])[cH:7][cH:8]1)[C:32]([c:25]1[cH:24][c:23]2[c:22]([Cl:21])[cH:30][c:29]([Cl:31])[cH:28][c:27]2[nH:26]1)=[O:33]Participants
6
Sources & evidence
- ORD record
- ord-8ff6b57b2fdd4e91bfa4c79889f5e24b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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