Water → HCID 178492786, compound
Reaction equation
[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][cH:8][c:9]([O:12][CH2:13][CH2:14][CH2:15][N:16]2[C:17](=[O:26])[c:18]3[c:19]([cH:22][cH:23][cH:24][cH:25]3)[C:20]2=[O:21])[cH:10][cH:11]1)[NH:27][S:28](=[O:29])(=[O:30])[c:31]1[cH:32][c:33]2[c:34]([n:35][c:36]([S:38][c:39]3[cH:40][cH:41][c:42]([O:45][CH3:46])[cH:43][cH:44]3)[s:37]2)[cH:47][cH:48]1)=[O:49].[OH2:55]>>[O:2]=[C:3]([CH:4]([CH2:5][c:6]1[cH:7][cH:8][c:9]([O:12][CH2:13][CH2:14][CH2:15][N:16]2[C:17](=[O:26])[c:18]3[c:19]([cH:22][cH:23][cH:24][cH:25]3)[C:20]2=[O:21])[cH:10][cH:11]1)[NH:27][S:28](=[O:29])(=[O:30])[c:31]1[cH:32][c:33]2[c:34]([n:35][c:36]([S:38][c:39]3[cH:40][cH:41][c:42]([O:45][CH3:46])[cH:43][cH:44]3)[s:37]2)[cH:47][cH:48]1)[OH:49]Participants
4
Sources & evidence
- ORD record
- ord-e223cbf376d048b097e004224869dde9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
Loading…