Water → HCID 178509810, compound
Reaction equation
[CH3:41][C:42]#[N:43].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:27]([CH:28]([F:29])[F:30])[NH:31][c:32]2[cH:33][cH:34][c:35]([O:36][CH3:37])[cH:38][cH:39]2)[c:6]([CH2:7][NH:8][C:9]([CH:10]2[N:11]([C:15]([CH:16]([OH:17])[CH:18]3[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]3)=[O:24])[CH2:12][CH2:13][CH2:14]2)=[O:25])[cH:26]1.[OH2:40]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:27]([CH:28]([F:29])[F:30])[NH2:31])[c:6]([CH2:7][NH:8][C:9]([CH:10]2[N:11]([C:15]([CH:16]([OH:17])[CH:18]3[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]3)=[O:24])[CH2:12][CH2:13][CH2:14]2)=[O:25])[cH:26]1Participants
4
Sources & evidence
- ORD record
- ord-080c94a50a144181b7782ce1f5608713
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
Loading…