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

HRID 298297Notes

Reaction equation

HRID 298297 reaction equation
[C:43]([O-:44])(=[O:45])[CH3:46].[C:48]([O-:49])(=[O:50])[CH3:51].[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][S:18](=[O:19])(=[O:20])[NH:21][C:22]1([c:25]2[cH:26][cH:27][c:28]([B:31]([OH:32])[OH:33])[cH:29][cH:30]2)[CH2:23][CH2:24]1.[Cl:40][CH2:41][Cl:42].[Cu+2:47].[cH:34]1[cH:35][cH:36][n:37][cH:38][cH:39]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:28]4[cH:27][cH:26][c:25]([C:22]5([NH:21][S:18]([CH3:17])(=[O:19])=[O:20])[CH2:23][CH2:24]5)[cH:30][cH:29]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 69516977(4-{1-[(Methylsulphonyl)amino]cyclopropyl}phenyl)boronic acid

Product 1

HCID 11662366N-(1-{4-[(5,5-Dioxido-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazin-7-yl)oxy]phenyl}cyclopropyl)methanesulphonamide

Sources & evidence

ORD record
ord-145091c5ecd14e8ea8ea20e081a26d31
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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