Isopropanol → (1-benzenesulfonyl-5-nitro-1H-pyrrolo[2,3-b]pyridin-4-yl)-(tetrahydro-thiopyran-4-yl)-amine

HRID 115348Notes

Reaction equation

HRID 115348 reaction equation
[CH3:43][CH2:44][O:45][C:46]([CH3:47])=[O:48].[CH:30]([N:31]([CH2:32][CH3:33])[CH:34]([CH3:35])[CH3:36])([CH3:37])[CH3:38].[CH:39]([OH:40])([CH3:41])[CH3:42].[S:23]1[CH2:24][CH2:25][CH:26]([NH2:29])[CH2:27][CH2:28]1.[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[cH:11][cH:12][c:13]3[c:14]2[n:15][cH:16][c:17]([N+:20](=[O:21])[O-:22])[c:18]3[Cl:19])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[cH:11][cH:12][c:13]3[c:14]2[n:15][cH:16][c:17]([N+:20](=[O:21])[O-:22])[c:18]3[NH:29][CH:26]2[CH2:25][CH2:24][S:23][CH2:28][CH2:27]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

6

Reactant 5

HCID 3776IsopropanolHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 418807Tetrahydrothiopyran-4-ylamineHCID 583947741-(benzenesulfonyl)-4-chloro-5-nitro-1H-pyrrolo(2,3-b)pyridine

Product 1

HCID 67346464(1-benzenesulfonyl-5-nitro-1H-pyrrolo[2,3-b]pyridin-4-yl)-(tetrahydro-thiopyran-4-yl)-amine

Sources & evidence

ORD record
ord-8be584ebc61f438a9e1f6c285d6ac2bb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…