Ammonium → 2-(3,5-di-tert.-butyl-4-hydroxybenzylidene)-3,4-dihydro-4-ethoxycarbonylmethyl-3-oxo-2H-1,4-benzothiazine
Reaction equation
[Br:28][CH2:29][C:30](=[O:31])[O:32][CH2:33][CH3:34].[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([CH:8]=[C:9]2[S:10][c:11]3[c:12]([cH:16][cH:17][cH:18][cH:19]3)[NH:13][C:14]2=[O:15])[cH:20][c:21]([C:24]([CH3:25])([CH3:26])[CH3:27])[c:22]1[OH:23].[CH2:42]([Li:43])[CH2:44][CH2:45][CH3:46].[CH3:47][CH2:48][CH2:49][CH2:50][CH2:51][CH3:52].[Cl-:35].[NH4+:36].[O:37]1[CH2:38][CH2:39][CH2:40][CH2:41]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([CH:8]=[C:9]2[S:10][c:11]3[c:12]([cH:16][cH:17][cH:18][cH:19]3)[N:13]([CH2:29][C:30](=[O:31])[O:32][CH2:33][CH3:34])[C:14]2=[O:15])[cH:20][c:21]([C:24]([CH3:25])([CH3:26])[CH3:27])[c:22]1[OH:23]Participants
8
Sources & evidence
- ORD record
- ord-ba46a0be253744e2bbf432d3d9fcf676
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
Loading…