Water → HCID 22272796, compound
Reaction equation
[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH3:1][S:2]([Cl:3])(=[O:4])=[O:5].[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[OH2:53].[o:6]1[c:7]([S:15][CH2:16][CH2:17][N:18]2[CH2:19][CH2:20][N:21]([CH2:24][C:25](=[O:26])[NH:27][c:28]3[c:29]([CH:38]([CH3:39])[CH3:40])[c:30]([OH:37])[cH:31][cH:32][c:33]3[CH:34]([CH3:35])[CH3:36])[CH2:22][CH2:23]2)[n:8][c:9]2[c:10]1[cH:11][cH:12][cH:13][cH:14]2>>[CH3:1][S:2](=[O:4])(=[O:5])[O:37][c:30]1[c:29]([CH:38]([CH3:39])[CH3:40])[c:28]([NH:27][C:25]([CH2:24][N:21]2[CH2:20][CH2:19][N:18]([CH2:17][CH2:16][S:15][c:7]3[o:6][c:10]4[c:9]([n:8]3)[cH:14][cH:13][cH:12][cH:11]4)[CH2:23][CH2:22]2)=[O:26])[c:33]([CH:34]([CH3:35])[CH3:36])[cH:32][cH:31]1Participants
6
Sources & evidence
- ORD record
- ord-ab78bc3d98654775a18349198b5ff48b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
Loading…