Acetone → 2-(1-Phenyltetrazol-5-yl)thiomethyl-6-[2-(2-methoxyethoxy)ethoxy]saccharin
Reaction equation
[CH2:43]([C:44]([CH3:45])=[O:46])[CH3:47].[CH3:36][C:37]([CH3:38])=[O:39].[Cl:1][CH2:2][N:3]1[S:4](=[O:5])(=[O:6])[c:7]2[cH:8][c:9]([O:15][CH2:16][CH2:17][O:18][CH2:19][CH2:20][O:21][CH3:22])[cH:10][cH:11][c:12]2[C:13]1=[O:14].[Cl:40][CH2:41][Cl:42].[Na:23].[c:24]1(-[n:30]2[n:31][n:32][n:33][c:34]2[SH:35])[cH:25][cH:26][cH:27][cH:28][cH:29]1>>[CH2:2]([N:3]1[S:4](=[O:5])(=[O:6])[c:7]2[cH:8][c:9]([O:15][CH2:16][CH2:17][O:18][CH2:19][CH2:20][O:21][CH3:22])[cH:10][cH:11][c:12]2[C:13]1=[O:14])[S:35][c:34]1[n:30](-[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[n:31][n:32][n:33]1Participants
7
Sources & evidence
- ORD record
- ord-179403fb10d64114bdf0401b19ce7e7c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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