Chloride → HCID 86594682, compound
Reaction equation
[C:40]([O:41][CH3:42])([CH3:43])([CH3:44])[CH3:45].[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:2][S:3](=[O:4])(=[O:5])[OH:6].[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[Cl-:1].[Cl:7][c:8]1[cH:9][cH:10][c:11](-[c:14]2[cH:15][cH:16][c:17]([C:20]#[C:21][c:22]3[cH:23][cH:24][c:25]([O:26][CH2:27][CH:28]([CH3:29])[OH:30])[cH:31][cH:32]3)[n:18][cH:19]2)[cH:12][cH:13]1.[OH2:51]>>[CH3:2][S:3](=[O:4])(=[O:5])[O:6][CH:28]([CH2:27][O:26][c:25]1[cH:24][cH:23][c:22]([C:21]#[C:20][c:17]2[cH:16][cH:15][c:14](-[c:11]3[cH:10][cH:9][c:8]([Cl:7])[cH:13][cH:12]3)[cH:19][n:18]2)[cH:32][cH:31]1)[CH3:29]Participants
8
Sources & evidence
- ORD record
- ord-ef4a69cd83484044b8c15d13184c0a80
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
Loading…