Ethanol → 2-(1-Phenyltetrazol-5-yl)thiomethyl-4-ethyl-5,7-dimethoxysaccharin
Reaction equation
[CH2:36]([OH:37])[CH3:38].[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[Cl:1][CH2:2][N:3]1[S:4](=[O:5])(=[O:6])[c:7]2[c:8]([O:19][CH3:20])[cH:9][c:10]([O:17][CH3:18])[c:11]([CH2:15][CH3:16])[c:12]2[C:13]1=[O:14].[Na:21].[OH2:34].[OH2:35].[c:22]1(-[n:28]2[n:29][n:30][n:31][c:32]2[SH:33])[cH:23][cH:24][cH:25][cH:26][cH:27]1>>[CH2:2]([N:3]1[S:4](=[O:5])(=[O:6])[c:7]2[c:8]([O:19][CH3:20])[cH:9][c:10]([O:17][CH3:18])[c:11]([CH2:15][CH3:16])[c:12]2[C:13]1=[O:14])[S:33][c:32]1[n:28](-[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[n:29][n:30][n:31]1Participants
7
Sources & evidence
- ORD record
- ord-1154636c1d00401b9bb25a654c1d5e07
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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