Ethanol → 2-(4-chlorophenyl)-3,4-dihydro2H-1,4-benzothiazine

Reaction equation

[CH2:42]([OH:43])[CH3:44].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[S:9][c:10]3[c:11]([cH:34][cH:35][cH:36][cH:37]3)[N:12]([C:14](=[O:15])[CH:16]3[CH2:17][CH2:18][CH2:19][N:20]3[S:21]([c:22]3[cH:23][cH:24][c:25]4[c:26]([cH:27][cH:28][cH:29][cH:30]4)[cH:31]3)(=[O:32])=[O:33])[CH2:13]2)[cH:6][cH:7]1.[K+:39].[OH-:38].[OH2:40].[OH2:41]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[S:9][c:10]3[c:11]([cH:34][cH:35][cH:36][cH:37]3)[NH:12][CH2:13]2)[cH:6][cH:7]1

Participants

Reactant 5

HCID 702Ethanol

HCID 813Potassium Cation

HCID 961Hydroxide

HCID 962Water2×

HCID 18984409[2-(4-Chlorophenyl)-2,3-dihydro-1,4-benzothiazin-4-yl]-(1-naphthalen-2-ylsulfonylpyrrolidin-2-yl)methanone

Product 1

HCID 130715242-(4-chlorophenyl)-3,4-dihydro2H-1,4-benzothiazine

Sources & evidence

ORD record: ord-dec41a3f4cb346c1a8b3ef5c77eeebec
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…