Water → HCID 59506975, compound
Reaction equation
[C:34]([CH2:35][CH3:36])(=[O:37])[Cl:38].[CH3:40][N:41]([CH3:42])[c:43]1[cH:44][cH:45][n:46][cH:47][cH:48]1.[NH2:1][c:2]1[s:3][c:4]2[n:5][c:6]([O:11][c:12]3[cH:13][cH:14][c:15]([F:33])[c:16]([NH:18][C:19]([c:20]4[c:21]([Cl:31])[c:22]([C:26]5([C:29]#[N:30])[CH2:27][CH2:28]5)[cH:23][cH:24][cH:25]4)=[O:32])[cH:17]3)[cH:7][cH:8][c:9]2[n:10]1.[OH2:39].[cH:49]1[cH:50][cH:51][n:52][cH:53][cH:54]1>>[NH:1]([c:2]1[s:3][c:4]2[n:5][c:6]([O:11][c:12]3[cH:13][cH:14][c:15]([F:33])[c:16]([NH:18][C:19]([c:20]4[c:21]([Cl:31])[c:22]([C:26]5([C:29]#[N:30])[CH2:27][CH2:28]5)[cH:23][cH:24][cH:25]4)=[O:32])[cH:17]3)[cH:7][cH:8][c:9]2[n:10]1)[C:34]([CH2:35][CH3:36])=[O:37]Participants
6
Sources & evidence
- ORD record
- ord-2612711abddd4a5091cf4c2c4f8174b7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
Loading…