Water → HCID 22466772, compound
Reaction equation
[C:1]([C:2]#[C:3][CH3:4])(=[O:5])[OH:6].[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH3:15][N:16]1[CH2:17][CH2:18][O:19][CH2:20][CH2:21]1.[Cl:7][C:8]([O:9][CH2:10][CH:11]([CH3:12])[CH3:13])=[O:14].[NH2:22][c:23]1[cH:24][c:25]2[c:26]([NH:35][c:36]3[cH:37][cH:38][c:39]([Br:42])[cH:40][cH:41]3)[c:27]([C:33]#[N:34])[cH:28][n:29][c:30]2[cH:31][cH:32]1.[O:48]=[CH:49][N:50]([CH3:51])[CH3:52].[OH2:53]>>[C:1]([C:2]#[C:3][CH3:4])(=[O:6])[NH:22][c:23]1[cH:24][c:25]2[c:26]([NH:35][c:36]3[cH:37][cH:38][c:39]([Br:42])[cH:40][cH:41]3)[c:27]([C:33]#[N:34])[cH:28][n:29][c:30]2[cH:31][cH:32]1Participants
8
Sources & evidence
- ORD record
- ord-2bf58b0a64ea45e98d23a766a60db00b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
Loading…