Acetate → N-{4-[(5,5-Dioxido-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]-benzothiadiazin-7-yl)oxy]benzyl}-N-methylmethanesulphonamide

HRID 105474Notes

Reaction equation

HRID 105474 reaction equation
[C:42]([O-:43])(=[O:44])[CH3:45].[C:47]([O-:48])(=[O:49])[CH3:50].[CH2:1]1[CH2:2][CH2:3][CH:4]2[NH:5][S:6](=[O:15])(=[O:16])[c:7]3[c:8]([cH:10][cH:11][c:12]([OH:14])[cH:13]3)[N:9]12.[CH3:17][N:18]([S:19](=[O:20])(=[O:21])[CH3:22])[CH2:23][c:24]1[cH:25][cH:26][c:27]([B:30]([OH:31])[OH:32])[cH:28][cH:29]1.[Cl:39][CH2:40][Cl:41].[Cu+2:46].[cH:33]1[cH:34][cH:35][n:36][cH:37][cH:38]1>>[CH2:1]1[CH2:2][CH2:3][CH:4]2[NH:5][S:6](=[O:15])(=[O:16])[c:7]3[c:8]([cH:10][cH:11][c:12]([O:14][c:27]4[cH:26][cH:25][c:24]([CH2:23][N:18]([CH3:17])[S:19](=[O:20])(=[O:21])[CH3:22])[cH:29][cH:28]4)[cH:13]3)[N:9]12

Participants

7

Reactant 6

HCID 175Acetate2×HCID 1049PyridineHCID 6344DichloromethaneHCID 27099Cupric cationHCID 98135182,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazin-7-ol 5,5-dioxideHCID 69197336(4-{[Methyl(methylsulphonyl)amino]methyl}phenyl)boronic acid

Product 1

HCID 69198819N-{4-[(5,5-Dioxido-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]-benzothiadiazin-7-yl)oxy]benzyl}-N-methylmethanesulphonamide

Sources & evidence

ORD record
ord-6ab2c52e02814c3aa1c48b8e110be8d8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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