Water → HCID 18923872, compound
Reaction equation
[CH3:1][n:2]1[cH:3][c:4]([CH2:11][CH2:12][C:13]([OH:14])=[O:15])[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12.[CH3:27][CH:28]([N:29]=[C:30]=[N:31][CH:32]([CH3:33])[CH3:34])[CH3:35].[CH3:36][S:37](=[O:38])(=[O:39])[NH:40][c:41]1[cH:42][cH:43][c:44]2[c:45]([cH:52]1)[O:46][CH:47]([CH2:50][NH2:51])[CH2:48][O:49]2.[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[OH2:16].[OH:17][n:18]1[c:19]2[cH:20][cH:21][cH:22][cH:23][c:24]2[n:25][n:26]1>>[CH3:1][n:2]1[cH:3][c:4]([CH2:11][CH2:12][CH2:13][NH:51][CH2:50][CH:47]2[O:46][c:45]3[c:44]([cH:43][cH:42][c:41]([NH:40][S:37]([CH3:36])(=[O:38])=[O:39])[cH:52]3)[O:49][CH2:48]2)[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12Participants
7
Sources & evidence
- ORD record
- ord-4368af5f214c4515a4c77e0581bfb165
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
Loading…